ethyl (E,4S)-4-[[(2S)-5-azanyl-2-[[(2S)-3-methyl-2-[(3-methyl-4-nitro-phenyl)carbonylamino]butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-methyl-hept-2-enoate

Systemtic Name: ethyl (E,4S)-4-[[(2S)-5-azanyl-2-[[(2S)-3-methyl-2-[(3-methyl-4-nitro-phenyl)carbonylamino]butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-methyl-hept-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-methyl-2-[(3-methyl-4-nitro-benzoyl)amino]butanoyl]amino]-5-oxo-pentanoyl]amino]-6-methyl-hept-2-enoate CAS Name: (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-methyl-2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-1-oxobutyl]amino]-1,5-dioxopentyl]amino]-6-methyl-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-methyl-2-[(3-methyl-4-nitrobenzoyl)amino]butanoyl]amino]-5-oxopentanoyl]amino]-6-methylhept-2-enoate Traditional Name: (E,4S)-4-[[(2S)-5-amino-5-keto-2-[[(2S)-3-methyl-2-[(3-methyl-4-nitro-benzoyl)amino]butanoyl]amino]pentanoyl]amino]-6-methyl-hept-2-enoic acid ethyl ester Formula: C28H41N5O8 MolecularWeight: 575.65384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)C)NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C

InChI

InChI=1S/C28H41N5O8/c1-7-41-24(35)13-9-20(14-16(2)3)30-27(37)21(10-12-23(29)34)31-28(38)25(17(4)5)32-26(36)19-8-11-22(33(39)40)18(6)15-19/h8-9,11,13,15-17,20-21,25H,7,10,12,14H2,1-6H3,(H2,29,34)(H,30,37)(H,31,38)(H,32,36)/b13-9+/t20-,21+,25+/m1/s1