methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-(methylthio)butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C28H44N4O6S MolecularWeight: 564.73716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)C(CCSC)NC=O

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NC(=O)[C@H](CCSC)NC=O

InChI

InChI=1S/C28H44N4O6S/c1-18(2)14-22(30-25(34)21(29-17-33)12-13-39-6)26(35)31-23(15-19(3)4)27(36)32-24(28(37)38-5)16-20-10-8-7-9-11-20/h7-11,17-19,21-24H,12-16H2,1-6H3,(H,29,33)(H,30,34)(H,31,35)(H,32,36)/t21-,22-,23-,24-/m0/s1