methyl (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-formamido-4-(methylthio)butanoyl]amino]-4-methyl-pentanoyl]prolyl]amino]-3-phenyl-propionic acid methyl ester Formula: C27H40N4O6S MolecularWeight: 548.6947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)OC)NC(=O)C(CCSC)NC=O

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)NC(=O)[C@H](CCSC)NC=O

InChI

InChI=1S/C27H40N4O6S/c1-18(2)15-21(29-24(33)20(28-17-32)12-14-38-4)26(35)31-13-8-11-23(31)25(34)30-22(27(36)37-3)16-19-9-6-5-7-10-19/h5-7,9-10,17-18,20-23H,8,11-16H2,1-4H3,(H,28,32)(H,29,33)(H,30,34)/t20-,21-,22-,23-/m0/s1