(2S,3aS,7aS)-1-[(4R)-4-[[(2S)-6-azanyl-2-(pyridin-2-ylcarbonylamino)hexanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid

Systemtic Name: (2S,3aS,7aS)-1-[(4R)-4-[[(2S)-6-azanyl-2-(pyridin-2-ylcarbonylamino)hexanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid Openeye Name: (2S,3aS,7aS)-1-[(4R)-4-[[(2S)-6-amino-2-(pyridine-2-carbonylamino)hexanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid CAS Name: (2S,3aS,7aS)-1-[(4R)-4-[[(2S)-6-amino-1-oxo-2-[[oxo(2-pyridinyl)methyl]amino]hexyl]amino]-5-hydroxy-1,5-dioxopentyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid IUPAC Name: (2S,3aS,7aS)-1-[(4R)-4-[[(2S)-6-amino-2-(pyridine-2-carbonylamino)hexanoyl]amino]-5-hydroxy-5-oxopentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid Traditional Name: (2S,3aS,7aS)-1-[(4R)-4-[[(2S)-6-amino-2-picolinamido-hexanoyl]amino]-5-hydroxy-5-keto-pentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid Formula: C26H37N5O7 MolecularWeight: 531.60128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)CC(N2C(=O)CCC(C(=O)O)NC(=O)C(CCCCN)NC(=O)C3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)CC[C@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)C3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C26H37N5O7/c27-13-5-3-9-18(29-23(33)17-8-4-6-14-28-17)24(34)30-19(25(35)36)11-12-22(32)31-20-10-2-1-7-16(20)15-21(31)26(37)38/h4,6,8,14,16,18-21H,1-3,5,7,9-13,15,27H2,(H,29,33)(H,30,34)(H,35,36)(H,37,38)/t16-,18-,19+,20-,21-/m0/s1