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

Systemtic Name: 3-[[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]-4-[[1-[[1-(carboxymethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]-4-[[1-[[1-(carboxymethylcarbamoyl)-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-4-[[1-[[1-(carboxymethylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-4-[[1-[[1-(carboxymethylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[1-[[1-(carboxymethylcarbamoyl)-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-4-keto-3-[[3-phenyl-2-[2-(tyrosylamino)propanoylamino]propanoyl]amino]butyric acid Formula: C37H51N7O11 MolecularWeight: 769.84114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)NCC(=O)O)NC(=O)C(CC(=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)NC(C(C)C)C(=O)NCC(=O)O)NC(=O)C(CC(=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/C37H51N7O11/c1-19(2)30(36(54)39-18-29(48)49)44-37(55)31(20(3)4)43-35(53)27(17-28(46)47)42-34(52)26(16-22-9-7-6-8-10-22)41-32(50)21(5)40-33(51)25(38)15-23-11-13-24(45)14-12-23/h6-14,19-21,25-27,30-31,45H,15-18,38H2,1-5H3,(H,39,54)(H,40,51)(H,41,50)(H,42,52)(H,43,53)(H,44,55)(H,46,47)(H,48,49)