2-[(3s)-3-[[(2s)-2-[[2-[8-[(2s)-2-[[(2s)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-4-oxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid (CHEM216517)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-22 14:33:18 UTC | ||||||||
| Update Date | 2026-08-22 14:33:18 UTC | ||||||||
| Accession Number | CHEM216517 | ||||||||
| Identification | |||||||||
| Common Name | 2-[(3s)-3-[[(2s)-2-[[2-[8-[(2s)-2-[[(2s)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-4-oxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[(3s)-3-[[(2s)-2-[[2-[8-[(2s)-2-[[(2s)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-4-oxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 923.10 g/mol, 2-[(3s)-3-[[(2s)-2-[[2-[8-[(2s)-2-[[(2s)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-4-oxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid is a heavy molecule. Its chemical formula is C43H62N12O9S. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM216517: 2-[(3s)-3-[[(2s)-2-[[2-[8-[(2s)-2-[[(2s)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-4-oxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C43H62N12O9S | ||||||||
| Average Molecular Mass | 923.100 g/mol | ||||||||
| Monoisotopic Mass | 922.448 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-[(3S)-3-[[(2S)-2-[[2-[8-[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-4-oxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C43H62N12O9S/c44-18-7-6-11-29(45)37(60)50-30(12-8-19-48-42(46)47)39(62)52-21-16-43(17-22-52)41(64)53(27-54(43)20-15-28-9-2-1-3-10-28)23-35(57)49-31(25-56)38(61)51-32-26-65-34-14-5-4-13-33(34)55(40(32)63)24-36(58)59/h1-5,9-10,13-14,29-32,56H,6-8,11-12,15-27,44-45H2,(H,49,57)(H,50,60)(H,51,61)(H,58,59)(H4,46,47,48)/t29-,30-,31-,32+/m0/s1 | ||||||||
| InChI Key | MVZISPWJJNYPSR-RTNMLALUSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
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| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
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| Predicted Properties | Not Available | ||||||||
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| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
