ethyl (E,4S)-4-[[(2S)-5-azanyl-2-[[(2S)-3-methyl-2-[(2-methyl-3-oxidanyl-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-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-methyl-hept-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[(3-hydroxy-2-methyl-benzoyl)amino]-3-methyl-butanoyl]amino]-5-oxo-pentanoyl]amino]-6-methyl-hept-2-enoate CAS Name: (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-3-methyl-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)-2-[(3-hydroxy-2-methylbenzoyl)amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-6-methylhept-2-enoate Traditional Name: (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[(3-hydroxy-2-methyl-benzoyl)amino]-3-methyl-butanoyl]amino]-5-keto-pentanoyl]amino]-6-methyl-hept-2-enoic acid ethyl ester Formula: C28H42N4O7 MolecularWeight: 546.65568

Click to see the large picture

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=C(C(=CC=C1)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=C(C(=CC=C1)O)C

InChI

InChI=1S/C28H42N4O7/c1-7-39-24(35)14-11-19(15-16(2)3)30-27(37)21(12-13-23(29)34)31-28(38)25(17(4)5)32-26(36)20-9-8-10-22(33)18(20)6/h8-11,14,16-17,19,21,25,33H,7,12-13,15H2,1-6H3,(H2,29,34)(H,30,37)(H,31,38)(H,32,36)/b14-11+/t19-,21+,25+/m1/s1