1-[4-[2,6-bis(azanyl)hexanoyl-phenylmethoxycarbonyl-amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: 1-[4-[2,6-bis(azanyl)hexanoyl-phenylmethoxycarbonyl-amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-[4-[benzyloxycarbonyl(2,6-diaminohexanoyl)amino]-5-hydroxy-5-oxo-pentanoyl]indoline-2-carboxylic acid CAS Name: 1-[4-[(2,6-diamino-1-oxohexyl)-phenylmethoxycarbonylamino]-5-hydroxy-1,5-dioxopentyl]-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-[4-[2,6-diaminohexanoyl(phenylmethoxycarbonyl)amino]-5-hydroxy-5-oxopentanoyl]-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-[4-[carbobenzoxy(2,6-diaminohexanoyl)amino]-5-hydroxy-5-keto-pentanoyl]indoline-2-carboxylic acid Formula: C28H34N4O8 MolecularWeight: 554.59156

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C21)C(=O)CCC(C(=O)O)N(C(=O)C(CCCCN)N)C(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(N(C2=CC=CC=C21)C(=O)CCC(C(=O)O)N(C(=O)C(CCCCN)N)C(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H34N4O8/c29-15-7-6-11-20(30)25(34)32(28(39)40-17-18-8-2-1-3-9-18)22(26(35)36)13-14-24(33)31-21-12-5-4-10-19(21)16-23(31)27(37)38/h1-5,8-10,12,20,22-23H,6-7,11,13-17,29-30H2,(H,35,36)(H,37,38)