4-[[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]-5-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]-5-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]-5-[(1-carboxy-2-methyl-propyl)amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-5-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-5-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid Traditional Name: 5-[(1-carboxy-2-methyl-propyl)amino]-5-keto-4-[[3-phenyl-2-[2-(tyrosylamino)propanoylamino]propanoyl]amino]valeric acid Formula: C31H41N5O9 MolecularWeight: 627.68534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C31H41N5O9/c1-17(2)26(31(44)45)36-29(42)23(13-14-25(38)39)34-30(43)24(16-19-7-5-4-6-8-19)35-27(40)18(3)33-28(41)22(32)15-20-9-11-21(37)12-10-20/h4-12,17-18,22-24,26,37H,13-16,32H2,1-3H3,(H,33,41)(H,34,43)(H,35,40)(H,36,42)(H,38,39)(H,44,45)