(3S)-5-diazenyl-3-[[3-[2-methyl-1-[(phenylmethyl)sulfonylamino]propyl]-5-(phenylmethyl)-4H-1,2-oxazol-5-yl]carbonylamino]-4-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5-diazenyl-3-[[3-[2-methyl-1-[(phenylmethyl)sulfonylamino]propyl]-5-(phenylmethyl)-4H-1,2-oxazol-5-yl]carbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: (3S)-3-[[5-benzyl-3-[1-(benzylsulfonylamino)-2-methyl-propyl]-4H-isoxazole-5-carbonyl]amino]-5-diazenyl-4-oxo-pentanoic acid CAS Name: (3S)-5-diazenyl-3-[[[3-[2-methyl-1-[(phenylmethyl)sulfonylamino]propyl]-5-(phenylmethyl)-4H-isoxazol-5-yl]-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: (3S)-3-[[5-benzyl-3-[1-(benzylsulfonylamino)-2-methylpropyl]-4H-1,2-oxazole-5-carbonyl]amino]-5-diazenyl-4-oxopentanoic acid Traditional Name: (3S)-3-[[5-benzyl-3-[1-(benzylsulfonylamino)-2-methyl-propyl]-2-isoxazoline-5-carbonyl]amino]-5-diazenyl-4-keto-valeric acid Formula: C27H33N5O7S MolecularWeight: 571.64522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NOC(C1)(CC2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)CN=N)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C1=NOC(C1)(CC2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)C(=O)CN=N)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C27H33N5O7S/c1-18(2)25(32-40(37,38)17-20-11-7-4-8-12-20)22-15-27(39-31-22,14-19-9-5-3-6-10-19)26(36)30-21(13-24(34)35)23(33)16-29-28/h3-12,18,21,25,28,32H,13-17H2,1-2H3,(H,30,36)(H,34,35)/t21-,25?,27?/m0/s1