methyl (2S)-1-[4-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(3S)-5-methyl-2-oxidanyl-1-oxidanylidene-1-propan-2-yloxy-hexan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-(naphthalen-1-ylmethyl)-4-oxidanylidene-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[4-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(3S)-5-methyl-2-oxidanyl-1-oxidanylidene-1-propan-2-yloxy-hexan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-(naphthalen-1-ylmethyl)-4-oxidanylidene-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-4-hydroxy-1-[4-[[(1S)-2-[[(1S)-1-(1-hydroxy-2-isopropoxy-2-oxo-ethyl)-3-methyl-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-3-(1-naphthylmethyl)-4-oxo-butanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-4-hydroxy-1-[4-[[(2S)-1-[[(3S)-2-hydroxy-5-methyl-1-oxo-1-propan-2-yloxyhexan-3-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1-naphthalenylmethyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-hydroxy-1-[4-[[(2S)-1-[[(3S)-2-hydroxy-5-methyl-1-oxo-1-propan-2-yloxyhexan-3-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(naphthalen-1-ylmethyl)-4-oxobutanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-4-hydroxy-1-[4-[[(1S)-2-[[(1S)-1-(1-hydroxy-2-isopropoxy-2-keto-ethyl)-3-methyl-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-4-keto-3-(1-naphthylmethyl)butanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C37H49N5O9 MolecularWeight: 707.81306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(=O)OC(C)C)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)CC(=O)N4CC(CC4C(=O)OC)O

Isomeric SMILES

CC(C)C[C@@H](C(C(=O)OC(C)C)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)CC(=O)N4CC(C[C@H]4C(=O)OC)O

InChI

InChI=1S/C37H49N5O9/c1-21(2)13-29(33(45)37(49)51-22(3)4)40-35(47)30(16-26-18-38-20-39-26)41-34(46)25(14-24-11-8-10-23-9-6-7-12-28(23)24)15-32(44)42-19-27(43)17-31(42)36(48)50-5/h6-12,18,20-22,25,27,29-31,33,43,45H,13-17,19H2,1-5H3,(H,38,39)(H,40,47)(H,41,46)/t25?,27?,29-,30-,31-,33?/m0/s1