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

Systemtic Name: (2R,3R,4S)-2-[[3-[2-[2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]ethoxy]ethoxy]phenyl]methylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-5-phenyl-pentanoic acid Openeye Name: (2R,3R,4S)-2-[[3-[2-[2-[[(2S)-2-amino-3-methyl-butanoyl]amino]ethoxy]ethoxy]phenyl]methylamino]-4-(tert-butoxycarbonylamino)-3-hydroxy-5-phenyl-pentanoic acid CAS Name: (2R,3R,4S)-2-[[3-[2-[2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]ethoxy]ethoxy]phenyl]methylamino]-3-hydroxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-phenylpentanoic acid IUPAC Name: (2R,3R,4S)-2-[[3-[2-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethoxy]ethoxy]phenyl]methylamino]-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid Traditional Name: (2R,3R,4S)-2-[[3-[2-[2-[[(2S)-2-amino-3-methyl-butanoyl]amino]ethoxy]ethoxy]benzyl]amino]-4-(tert-butoxycarbonylamino)-3-hydroxy-5-phenyl-valeric acid Formula: C32H48N4O8 MolecularWeight: 616.74552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCOCCOC1=CC=CC(=C1)CNC(C(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)C(=O)O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCOCCOC1=CC=CC(=C1)CN[C@H]([C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)C(=O)O)N

InChI

InChI=1S/C32H48N4O8/c1-21(2)26(33)29(38)34-14-15-42-16-17-43-24-13-9-12-23(18-24)20-35-27(30(39)40)28(37)25(19-22-10-7-6-8-11-22)36-31(41)44-32(3,4)5/h6-13,18,21,25-28,35,37H,14-17,19-20,33H2,1-5H3,(H,34,38)(H,36,41)(H,39,40)/t25-,26-,27+,28+/m0/s1