2-(1-azanyl-2-oxidanyl-propyl)-4-[[2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-pentanoyl]amino]-3-oxidanylidene-5-phenyl-pentanoic acid

Systemtic Name: 2-(1-azanyl-2-oxidanyl-propyl)-4-[[2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-pentanoyl]amino]-3-oxidanylidene-5-phenyl-pentanoic acid Openeye Name: 2-(1-amino-2-hydroxy-propyl)-4-[[2-[(2-amino-3-sulfanyl-propyl)amino]-3-methyl-pentanoyl]amino]-3-oxo-5-phenyl-pentanoic acid CAS Name: 2-(1-amino-2-hydroxypropyl)-4-[[2-[(2-amino-3-mercaptopropyl)amino]-3-methyl-1-oxopentyl]amino]-3-oxo-5-phenylpentanoic acid IUPAC Name: 2-(1-amino-2-hydroxypropyl)-4-[[2-[(2-amino-3-sulfanylpropyl)amino]-3-methylpentanoyl]amino]-3-oxo-5-phenylpentanoic acid Traditional Name: 2-(1-amino-2-hydroxy-propyl)-4-[[2-[(2-amino-3-mercapto-propyl)amino]-3-methyl-pentanoyl]amino]-3-keto-5-phenyl-valeric acid Formula: C23H38N4O5S MolecularWeight: 482.63662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)C(C(C(C)O)N)C(=O)O)NCC(CS)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)C(C(C(C)O)N)C(=O)O)NCC(CS)N

InChI

InChI=1S/C23H38N4O5S/c1-4-13(2)20(26-11-16(24)12-33)22(30)27-17(10-15-8-6-5-7-9-15)21(29)18(23(31)32)19(25)14(3)28/h5-9,13-14,16-20,26,28,33H,4,10-12,24-25H2,1-3H3,(H,27,30)(H,31,32)