5-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-azanyl-3-methanoyl-6-methyl-4-oxidanylidene-2-phenoxy-2-pyrrolidin-2-ylcarbonyl-heptanoic acid

Systemtic Name: 5-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-azanyl-3-methanoyl-6-methyl-4-oxidanylidene-2-phenoxy-2-pyrrolidin-2-ylcarbonyl-heptanoic acid Openeye Name: 5-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-amino-3-formyl-6-methyl-4-oxo-2-phenoxy-2-(pyrrolidine-2-carbonyl)heptanoic acid CAS Name: 5-[[2-acetamido-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-amino-3-formyl-6-methyl-4-oxo-2-[oxo(2-pyrrolidinyl)methyl]-2-phenoxyheptanoic acid IUPAC Name: 5-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-amino-3-formyl-6-methyl-4-oxo-2-phenoxy-2-(pyrrolidine-2-carbonyl)heptanoic acid Traditional Name: 5-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-amino-3-formyl-4-keto-6-methyl-2-phenoxy-2-prolyl-enanthic acid Formula: C31H38N4O9 MolecularWeight: 610.65482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(C=O)(C(C(=O)C1CCCN1)(C(=O)O)OC2=CC=CC=C2)N)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)C(C=O)(C(C(=O)C1CCCN1)(C(=O)O)OC2=CC=CC=C2)N)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C

InChI

InChI=1S/C31H38N4O9/c1-18(2)25(35-28(41)24(34-19(3)37)16-20-11-13-21(38)14-12-20)27(40)30(32,17-36)31(29(42)43,26(39)23-10-7-15-33-23)44-22-8-5-4-6-9-22/h4-6,8-9,11-14,17-18,23-25,33,38H,7,10,15-16,32H2,1-3H3,(H,34,37)(H,35,41)(H,42,43)