(3S)-3-[[(2S)-3-methyl-2-(2-naphthalen-1-yloxyethanoylamino)butanoyl]amino]-4-oxidanylidene-5-pyridin-2-ylsulfanyl-pentanoic acid

Systemtic Name: (3S)-3-[[(2S)-3-methyl-2-(2-naphthalen-1-yloxyethanoylamino)butanoyl]amino]-4-oxidanylidene-5-pyridin-2-ylsulfanyl-pentanoic acid Openeye Name: (3S)-3-[[(2S)-3-methyl-2-[[2-(1-naphthyloxy)acetyl]amino]butanoyl]amino]-4-oxo-5-(2-pyridylsulfanyl)pentanoic acid CAS Name: (3S)-3-[[(2S)-3-methyl-2-[[2-(1-naphthalenyloxy)-1-oxoethyl]amino]-1-oxobutyl]amino]-4-oxo-5-(2-pyridinylthio)pentanoic acid IUPAC Name: (3S)-3-[[(2S)-3-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoyl]amino]-4-oxo-5-pyridin-2-ylsulfanylpentanoic acid Traditional Name: (3S)-4-keto-3-[[(2S)-3-methyl-2-[[2-(1-naphthoxy)acetyl]amino]butanoyl]amino]-5-(2-pyridylthio)valeric acid Formula: C27H29N3O6S MolecularWeight: 523.60066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CSC1=CC=CC=N1)NC(=O)COC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)CSC1=CC=CC=N1)NC(=O)COC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C27H29N3O6S/c1-17(2)26(30-23(32)15-36-22-11-7-9-18-8-3-4-10-19(18)22)27(35)29-20(14-25(33)34)21(31)16-37-24-12-5-6-13-28-24/h3-13,17,20,26H,14-16H2,1-2H3,(H,29,35)(H,30,32)(H,33,34)/t20-,26-/m0/s1