[3-[[(2S)-1-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-2-(phenylmethyl)propyl]-[1-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoyl]amino]-2-phenyl-ethyl]phosphinic acid

Systemtic Name: [3-[[(2S)-1-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-2-(phenylmethyl)propyl]-[1-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoyl]amino]-2-phenyl-ethyl]phosphinic acid Openeye Name: [2-benzyl-3-[[(1S)-1-[[(1S)-1-carbamoyl-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-3-oxo-propyl]-[1-[[(2S)-2-[[(2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-2-phenyl-ethyl]phosphinic acid CAS Name: [3-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxo-2-(phenylmethyl)propyl]-[1-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S,3S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-1-oxopropyl]amino]-2-phenylethyl]phosphinic acid IUPAC Name: [3-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-benzyl-3-oxopropyl]-[1-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoyl]amino]-2-phenylethyl]phosphinic acid Traditional Name: [2-benzyl-3-[[(1S)-1-[[(1S)-1-carbamoyl-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-3-keto-propyl]-[1-[[(2S)-2-[[(2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-2-phenyl-ethyl]phosphinic acid Formula: C48H65N8O9P MolecularWeight: 929.051661

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)P(=O)(CC(CC3=CC=CC=C3)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)N)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)P(=O)(CC(CC3=CC=CC=C3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C48H65N8O9P/c1-7-32(6)42(56-48(62)65-27-35-21-15-10-16-22-35)47(61)52-38(25-37-26-50-29-51-37)45(59)53-39(24-34-19-13-9-14-20-34)66(63,64)28-36(23-33-17-11-8-12-18-33)44(58)55-41(31(4)5)46(60)54-40(30(2)3)43(49)57/h8-22,26,29-32,36,38-42H,7,23-25,27-28H2,1-6H3,(H2,49,57)(H,50,51)(H,52,61)(H,53,59)(H,54,60)(H,55,58)(H,56,62)(H,63,64)/t32-,36?,38-,39?,40-,41-,42-/m0/s1