(phenylmethyl) N-[1-[7a-(3-chloranyl-2-oxidanylidene-propanoyl)-3a-methoxy-4,7-bis(oxidanylidene)-2,3,5,6-tetrahydroindol-1-yl]-6-azanyl-1-oxidanylidene-hexan-2-yl]-N-(2-azanylpropanoyl)carbamate

Systemtic Name: (phenylmethyl) N-[1-[7a-(3-chloranyl-2-oxidanylidene-propanoyl)-3a-methoxy-4,7-bis(oxidanylidene)-2,3,5,6-tetrahydroindol-1-yl]-6-azanyl-1-oxidanylidene-hexan-2-yl]-N-(2-azanylpropanoyl)carbamate Openeye Name: benzyl N-[1-[7a-(3-chloro-2-oxo-propanoyl)-3a-methoxy-4,7-dioxo-2,3,5,6-tetrahydroindole-1-carbonyl]-5-amino-pentyl]-N-(2-aminopropanoyl)carbamate CAS Name: N-[1-[7a-(3-chloro-1,2-dioxopropyl)-3a-methoxy-4,7-dioxo-2,3,5,6-tetrahydroindol-1-yl]-6-amino-1-oxohexan-2-yl]-N-(2-amino-1-oxopropyl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[7a-(3-chloro-2-oxopropanoyl)-3a-methoxy-4,7-dioxo-2,3,5,6-tetrahydroindol-1-yl]-6-amino-1-oxohexan-2-yl]-N-(2-aminopropanoyl)carbamate Traditional Name: N-[1-[7a-(3-chloro-2-keto-propanoyl)-4,7-diketo-3a-methoxy-2,3,5,6-tetrahydroindole-1-carbonyl]-5-amino-pentyl]-N-alanyl-carbamic acid benzyl ester Formula: C29H37ClN4O9 MolecularWeight: 621.07848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C(CCCCN)C(=O)N1CCC2(C1(C(=O)CCC2=O)C(=O)C(=O)CCl)OC)C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)N(C(CCCCN)C(=O)N1CCC2(C1(C(=O)CCC2=O)C(=O)C(=O)CCl)OC)C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C29H37ClN4O9/c1-18(32)25(39)34(27(41)43-17-19-8-4-3-5-9-19)20(10-6-7-14-31)26(40)33-15-13-28(42-2)22(36)11-12-23(37)29(28,33)24(38)21(35)16-30/h3-5,8-9,18,20H,6-7,10-17,31-32H2,1-2H3