phenylmethoxycarbonyl 1-azanyl-2-[5-azanyl-2-[2,6-bis(azanyl)hexanoylamino]-5-oxidanylidene-pentanoyl]cyclopentane-1-carboxylate

Systemtic Name: phenylmethoxycarbonyl 1-azanyl-2-[5-azanyl-2-[2,6-bis(azanyl)hexanoylamino]-5-oxidanylidene-pentanoyl]cyclopentane-1-carboxylate Openeye Name: benzyloxycarbonyl 1-amino-2-[5-amino-2-(2,6-diaminohexanoylamino)-5-oxo-pentanoyl]cyclopentanecarboxylate CAS Name: 1-amino-2-[5-amino-2-[(2,6-diamino-1-oxohexyl)amino]-1,5-dioxopentyl]-1-cyclopentanecarboxylic acid phenylmethoxycarbonyl ester IUPAC Name: phenylmethoxycarbonyl 1-amino-2-[5-amino-2-(2,6-diaminohexanoylamino)-5-oxopentanoyl]cyclopentane-1-carboxylate Traditional Name: 1-amino-2-[5-amino-2-(2,6-diaminohexanoylamino)-5-keto-pentanoyl]cyclopentanecarboxylic acid carbobenzoxy ester Formula: C25H37N5O7 MolecularWeight: 519.59058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)(C(=O)OC(=O)OCC2=CC=CC=C2)N)C(=O)C(CCC(=O)N)NC(=O)C(CCCCN)N

Isomeric SMILES

C1CC(C(C1)(C(=O)OC(=O)OCC2=CC=CC=C2)N)C(=O)C(CCC(=O)N)NC(=O)C(CCCCN)N

InChI

InChI=1S/C25H37N5O7/c26-14-5-4-10-18(27)22(33)30-19(11-12-20(28)31)21(32)17-9-6-13-25(17,29)23(34)37-24(35)36-15-16-7-2-1-3-8-16/h1-3,7-8,17-19H,4-6,9-15,26-27,29H2,(H2,28,31)(H,30,33)