2-[[2-[2-(2-azanylethanoylamino)ethanoylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-[2-(2-azanylethanoylamino)ethanoylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[[2-(glycylamino)acetyl]amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN

InChI

InChI=1S/C18H26N4O5S/c1-28-8-7-13(18(26)27)22-17(25)14(9-12-5-3-2-4-6-12)21-16(24)11-20-15(23)10-19/h2-6,13-14H,7-11,19H2,1H3,(H,20,23)(H,21,24)(H,22,25)(H,26,27)