(3S)-4-[[(2S)-6-azanyl-1-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxidanylidene-hexan-2-yl]amino]-4-oxidanylidene-3-[[(2S)-3-oxidanyl-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]propanoyl]amino]butanoic acid

Systemtic Name: (3S)-4-[[(2S)-6-azanyl-1-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxidanylidene-hexan-2-yl]amino]-4-oxidanylidene-3-[[(2S)-3-oxidanyl-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]propanoyl]amino]butanoic acid Openeye Name: (3S)-4-[[(1S)-5-amino-1-[(2S)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pentyl]amino]-3-[[(2S)-3-hydroxy-2-[(4-hydroxy-4-oxo-butanoyl)amino]propanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2S)-6-amino-1-[(2S)-2-(methylcarbamoyl)-1-pyrrolidinyl]-1-oxohexan-2-yl]amino]-3-[[(2S)-3-hydroxy-2-[(4-hydroxy-1,4-dioxobutyl)amino]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2S)-6-amino-1-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-[[(2S)-3-hydroxy-2-[(4-hydroxy-4-oxobutanoyl)amino]propanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-5-amino-1-[(2S)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pentyl]amino]-3-[[(2S)-3-hydroxy-2-[(4-hydroxy-4-keto-butanoyl)amino]propanoyl]amino]-4-keto-butyric acid Formula: C23H38N6O10 MolecularWeight: 558.58202

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)CCC(=O)O

Isomeric SMILES

CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CCC(=O)O

InChI

InChI=1S/C23H38N6O10/c1-25-22(38)16-6-4-10-29(16)23(39)13(5-2-3-9-24)27-20(36)14(11-19(34)35)28-21(37)15(12-30)26-17(31)7-8-18(32)33/h13-16,30H,2-12,24H2,1H3,(H,25,38)(H,26,31)(H,27,36)(H,28,37)(H,32,33)(H,34,35)/t13-,14-,15-,16-/m0/s1