2-[[2-(2-azanylethanoylamino)-3-(diphenylmethyl)sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-(2-azanylethanoylamino)-3-(diphenylmethyl)sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[(2-aminoacetyl)amino]-3-benzhydrylsulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[2-[(2-amino-1-oxoethyl)amino]-3-[(diphenylmethyl)thio]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[2-[(2-aminoacetyl)amino]-3-benzhydrylsulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[3-(benzhydrylthio)-2-(glycylamino)propanoyl]amino]acetic acid Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(C(=O)NCC(=O)O)NC(=O)CN

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(C(=O)NCC(=O)O)NC(=O)CN

InChI

InChI=1S/C20H23N3O4S/c21-11-17(24)23-16(20(27)22-12-18(25)26)13-28-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19H,11-13,21H2,(H,22,27)(H,23,24)(H,25,26)