(2S)-2-[[(2S)-2-[[(2S)-2-[(4-chloranyl-2-oxidanyl-phenyl)carbonylamino]-3-methyl-butanoyl]amino]-3-naphthalen-2-yl-propanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[(4-chloranyl-2-oxidanyl-phenyl)carbonylamino]-3-methyl-butanoyl]amino]-3-naphthalen-2-yl-propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[(4-chloro-2-hydroxy-benzoyl)amino]-3-methyl-butanoyl]amino]-3-(2-naphthyl)propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(4-chloro-2-hydroxyphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[(4-chloro-2-hydroxy-benzoyl)amino]-3-methyl-butanoyl]amino]-3-(2-naphthyl)propanoyl]amino]-4-(methylthio)butyric acid Formula: C30H34ClN3O6S MolecularWeight: 600.12546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NC(CCSC)C(=O)O)NC(=O)C3=C(C=C(C=C3)Cl)O

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)C3=C(C=C(C=C3)Cl)O

InChI

InChI=1S/C30H34ClN3O6S/c1-17(2)26(34-27(36)22-11-10-21(31)16-25(22)35)29(38)33-24(28(37)32-23(30(39)40)12-13-41-3)15-18-8-9-19-6-4-5-7-20(19)14-18/h4-11,14,16-17,23-24,26,35H,12-13,15H2,1-3H3,(H,32,37)(H,33,38)(H,34,36)(H,39,40)/t23-,24-,26-/m0/s1