(3S)-3-[[(2S)-2-azanyl-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-[[(2S)-1-(1H-imidazol-5-yl)-3-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-azanyl-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-[[(2S)-1-(1H-imidazol-5-yl)-3-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-[[(1S)-2-[[(1S)-1-[[(1S)-1-formyl-2-(1H-imidazol-5-yl)ethyl]carbamoyl]-2-methyl-propyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-amino-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]-4-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-[[(2S)-1-(1H-imidazol-5-yl)-3-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-[[(2S)-1-(1H-imidazol-5-yl)-3-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-[[(1S)-2-[[(1S)-1-[[(1S)-1-formyl-2-(1H-imidazol-5-yl)ethyl]carbamoyl]-2-methyl-propyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C33H42N7O12P MolecularWeight: 759.700041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CN=CN1)C=O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CC=C(C=C3)OP(=O)(O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C33H42N7O12P/c1-18(2)29(33(48)37-22(16-41)13-21-15-35-17-36-21)40-32(47)26(12-20-3-7-23(42)8-4-20)39-31(46)27(14-28(43)44)38-30(45)25(34)11-19-5-9-24(10-6-19)52-53(49,50)51/h3-10,15-18,22,25-27,29,42H,11-14,34H2,1-2H3,(H,35,36)(H,37,48)(H,38,45)(H,39,46)(H,40,47)(H,43,44)(H2,49,50,51)/t22-,25-,26-,27-,29-/m0/s1