(E)-2-(3,3-dimethylbutanoylamino)-7-[[4-methyl-2-[2-[4-(phenylcarbamoylamino)phenyl]ethanoylamino]pentanoyl]amino]oct-4-enedioic acid

Systemtic Name: (E)-2-(3,3-dimethylbutanoylamino)-7-[[4-methyl-2-[2-[4-(phenylcarbamoylamino)phenyl]ethanoylamino]pentanoyl]amino]oct-4-enedioic acid Openeye Name: (E)-2-(3,3-dimethylbutanoylamino)-7-[[4-methyl-2-[[2-[4-(phenylcarbamoylamino)phenyl]acetyl]amino]pentanoyl]amino]oct-4-enedioic acid CAS Name: (E)-2-[[2-[[2-[4-[[anilino(oxo)methyl]amino]phenyl]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-7-[(3,3-dimethyl-1-oxobutyl)amino]-4-octenedioic acid IUPAC Name: (E)-2-(3,3-dimethylbutanoylamino)-7-[[4-methyl-2-[[2-[4-(phenylcarbamoylamino)phenyl]acetyl]amino]pentanoyl]amino]oct-4-enedioic acid Traditional Name: (E)-2-(3,3-dimethylbutanoylamino)-7-[[4-methyl-2-[[2-[4-(phenylcarbamoylamino)phenyl]acetyl]amino]pentanoyl]amino]oct-4-enedioic acid Formula: C35H47N5O8 MolecularWeight: 665.77638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC=CCC(C(=O)O)NC(=O)CC(C)(C)C)C(=O)O)NC(=O)CC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC(C/C=C/CC(C(=O)O)NC(=O)CC(C)(C)C)C(=O)O)NC(=O)CC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C35H47N5O8/c1-22(2)19-28(39-29(41)20-23-15-17-25(18-16-23)37-34(48)36-24-11-7-6-8-12-24)31(43)40-27(33(46)47)14-10-9-13-26(32(44)45)38-30(42)21-35(3,4)5/h6-12,15-18,22,26-28H,13-14,19-21H2,1-5H3,(H,38,42)(H,39,41)(H,40,43)(H,44,45)(H,46,47)(H2,36,37,48)/b10-9+