3-[[(2S)-2-[2-(5-iodanyl-2-methoxy-phenyl)ethanoylamino]-3-methyl-butanoyl]amino]-5-naphthalen-1-ylcarbonyloxy-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[[(2S)-2-[2-(5-iodanyl-2-methoxy-phenyl)ethanoylamino]-3-methyl-butanoyl]amino]-5-naphthalen-1-ylcarbonyloxy-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[(2S)-2-[[2-(5-iodanyl-2-methoxy-phenyl)acetyl]amino]-3-methyl-butanoyl]amino]-5-(naphthalene-1-carbonyloxy)-4-oxo-pentanoic acid CAS Name: 3-[[(2S)-2-[[2-(5-iodanyl-2-methoxyphenyl)-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-5-[1-naphthalenyl(oxo)methoxy]-4-oxopentanoic acid IUPAC Name: 3-[[(2S)-2-[[2-(5-iodanyl-2-methoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-5-(naphthalene-1-carbonyloxy)-4-oxopentanoic acid Traditional Name: 3-[[(2S)-2-[[2-(5-iodanyl-2-methoxy-phenyl)acetyl]amino]-3-methyl-butanoyl]amino]-4-keto-5-(1-naphthoyloxy)valeric acid Formula: C30H31IN2O8 MolecularWeight: 672.480364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)COC(=O)C1=CC=CC2=CC=CC=C21)NC(=O)CC3=C(C=CC(=C3)I)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(CC(=O)O)C(=O)COC(=O)C1=CC=CC2=CC=CC=C21)NC(=O)CC3=C(C=CC(=C3)[125I])OC

InChI

InChI=1S/C30H31IN2O8/c1-17(2)28(33-26(35)14-19-13-20(31)11-12-25(19)40-3)29(38)32-23(15-27(36)37)24(34)16-41-30(39)22-10-6-8-18-7-4-5-9-21(18)22/h4-13,17,23,28H,14-16H2,1-3H3,(H,32,38)(H,33,35)(H,36,37)/t23?,28-/m0/s1/i31-2