[(2S)-2-[[2-[[2-(2-acetamidoethanoylamino)-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]-3-methoxy-3-oxidanylidene-propyl] 9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [(2S)-2-[[2-[[2-(2-acetamidoethanoylamino)-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]-3-methoxy-3-oxidanylidene-propyl] 9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [(2S)-2-[[2-[[2-[(2-acetamidoacetyl)amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]-3-methoxy-3-oxo-propyl] 9,10-dioxoanthracene-2-carboxylate CAS Name: 9,10-dioxo-2-anthracenecarboxylic acid [(2S)-2-[[2-[[2-[(2-acetamido-1-oxoethyl)amino]-2-methyl-1-oxopropyl]amino]-2-methyl-1-oxopropyl]amino]-3-methoxy-3-oxopropyl] ester IUPAC Name: [(2S)-2-[[2-[[2-[(2-acetamidoacetyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-3-methoxy-3-oxopropyl] 9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketoanthracene-2-carboxylic acid [(2S)-2-[[2-[[2-[(2-acetamidoacetyl)amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]-3-keto-3-methoxy-propyl] ester Formula: C31H34N4O10 MolecularWeight: 622.62246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(COC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

CC(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](COC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C31H34N4O10/c1-16(36)32-14-23(37)34-31(4,5)29(43)35-30(2,3)28(42)33-22(27(41)44-6)15-45-26(40)17-11-12-20-21(13-17)25(39)19-10-8-7-9-18(19)24(20)38/h7-13,22H,14-15H2,1-6H3,(H,32,36)(H,33,42)(H,34,37)(H,35,43)/t22-/m0/s1