2-[[2-[2-[(2-azanyl-3-phenyl-propanoyl)amino]ethanoylamino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[2-[(2-azanyl-3-phenyl-propanoyl)amino]ethanoylamino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]acetyl]amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxoethyl]amino]-3-mercapto-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[3-mercapto-2-[[2-(phenylalanylamino)acetyl]amino]propanoyl]amino]-4-methyl-valeric acid Formula: C20H30N4O5S MolecularWeight: 438.541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CS)NC(=O)CNC(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CS)NC(=O)CNC(=O)C(CC1=CC=CC=C1)N

InChI

InChI=1S/C20H30N4O5S/c1-12(2)8-15(20(28)29)24-19(27)16(11-30)23-17(25)10-22-18(26)14(21)9-13-6-4-3-5-7-13/h3-7,12,14-16,30H,8-11,21H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)(H,28,29)