(2R,3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-5-phenyl-2-[[4-[(phenylcarbamoylamino)methyl]phenyl]methylamino]pentanoic acid

Systemtic Name: (2R,3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-5-phenyl-2-[[4-[(phenylcarbamoylamino)methyl]phenyl]methylamino]pentanoic acid Openeye Name: (2R,3R,4S)-4-(tert-butoxycarbonylamino)-3-hydroxy-5-phenyl-2-[[4-[(phenylcarbamoylamino)methyl]phenyl]methylamino]pentanoic acid CAS Name: (2R,3R,4S)-2-[[4-[[[anilino(oxo)methyl]amino]methyl]phenyl]methylamino]-3-hydroxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-phenylpentanoic acid IUPAC Name: (2R,3R,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-2-[[4-[(phenylcarbamoylamino)methyl]phenyl]methylamino]pentanoic acid Traditional Name: (2R,3R,4S)-4-(tert-butoxycarbonylamino)-3-hydroxy-5-phenyl-2-[[4-[(phenylcarbamoylamino)methyl]benzyl]amino]valeric acid Formula: C31H38N4O6 MolecularWeight: 562.65662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(C(C(=O)O)NCC2=CC=C(C=C2)CNC(=O)NC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@H](C(=O)O)NCC2=CC=C(C=C2)CNC(=O)NC3=CC=CC=C3)O

InChI

InChI=1S/C31H38N4O6/c1-31(2,3)41-30(40)35-25(18-21-10-6-4-7-11-21)27(36)26(28(37)38)32-19-22-14-16-23(17-15-22)20-33-29(39)34-24-12-8-5-9-13-24/h4-17,25-27,32,36H,18-20H2,1-3H3,(H,35,40)(H,37,38)(H2,33,34,39)/t25-,26+,27+/m0/s1