methyl (2S)-2-[[(2S)-2-azanyl-4-methoxy-4-oxidanylidene-butanoyl]-phenyl-amino]-2-[(4-carbamimidoylphenyl)carbamoylamino]-3-oxidanylidene-butanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-azanyl-4-methoxy-4-oxidanylidene-butanoyl]-phenyl-amino]-2-[(4-carbamimidoylphenyl)carbamoylamino]-3-oxidanylidene-butanoate Openeye Name: methyl (2S)-2-(N-[(2S)-2-amino-4-methoxy-4-oxo-butanoyl]anilino)-2-[(4-carbamimidoylphenyl)carbamoylamino]-3-oxo-butanoate CAS Name: (2S)-2-(N-[(2S)-2-amino-4-methoxy-1,4-dioxobutyl]anilino)-2-[[(4-carbamimidoylanilino)-oxomethyl]amino]-3-oxobutanoic acid methyl ester IUPAC Name: methyl (2S)-2-(N-[(2S)-2-amino-4-methoxy-4-oxobutanoyl]anilino)-2-[(4-carbamimidoylphenyl)carbamoylamino]-3-oxobutanoate Traditional Name: (2S)-2-[(4-amidinophenyl)carbamoylamino]-2-(N-[(2S)-2-amino-4-keto-4-methoxy-butanoyl]anilino)-3-keto-butyric acid methyl ester Formula: C24H28N6O7 MolecularWeight: 512.51512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)OC)(NC(=O)NC1=CC=C(C=C1)C(=N)N)N(C2=CC=CC=C2)C(=O)C(CC(=O)OC)N

Isomeric SMILES

CC(=O)[C@](C(=O)OC)(NC(=O)NC1=CC=C(C=C1)C(=N)N)N(C2=CC=CC=C2)C(=O)[C@H](CC(=O)OC)N

InChI

InChI=1S/C24H28N6O7/c1-14(31)24(22(34)37-3,29-23(35)28-16-11-9-15(10-12-16)20(26)27)30(17-7-5-4-6-8-17)21(33)18(25)13-19(32)36-2/h4-12,18H,13,25H2,1-3H3,(H3,26,27)(H2,28,29,35)/t18-,24-/m0/s1