methyl 3-[[1-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[(4-nitrophenyl)amino]pentanoyl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[[1-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[(4-nitrophenyl)amino]pentanoyl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[[2-[[(2S)-5-guanidino-2-(4-nitroanilino)pentanoyl]amino]-1,1-dimethyl-2-oxo-ethyl]amino]-3-oxo-propanoate CAS Name: 3-[[1-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)-1-oxopentyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[[1-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)pentanoyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-oxopropanoate Traditional Name: 3-[[2-[[(2S)-5-guanidino-2-(4-nitroanilino)pentanoyl]amino]-2-keto-1,1-dimethyl-ethyl]amino]-3-keto-propionic acid methyl ester Formula: C20H29N7O7 MolecularWeight: 479.48696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(=O)C(CCCN=C(N)N)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CC(=O)OC

Isomeric SMILES

CC(C)(C(=O)NC(=O)[C@H](CCCN=C(N)N)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CC(=O)OC

InChI

InChI=1S/C20H29N7O7/c1-20(2,26-15(28)11-16(29)34-3)18(31)25-17(30)14(5-4-10-23-19(21)22)24-12-6-8-13(9-7-12)27(32)33/h6-9,14,24H,4-5,10-11H2,1-3H3,(H,26,28)(H4,21,22,23)(H,25,30,31)/t14-/m0/s1