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

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-4-methylsulfanyl-2-ureido-butanoyl]amino]pentanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-(carbamoylamino)-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-4-methyl-2-[[(2S)-4-(methylthio)-2-ureido-butanoyl]amino]pentanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H34N4O5S MolecularWeight: 466.59416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O5S/c1-14(2)12-17(24-19(27)16(10-11-32-4)26-22(23)30)20(28)25-18(21(29)31-3)13-15-8-6-5-7-9-15/h5-9,14,16-18H,10-13H2,1-4H3,(H,24,27)(H,25,28)(H3,23,26,30)/t16-,17-,18-/m0/s1