methyl (4R)-2-[(2S)-1-[(2S,3R)-2-[[(2S)-2-azanylpropanoyl]amino]-3-[[1-[[4-[[4-[[(2R)-4-[(2S)-2-[(4R)-4-[(3-chlorophenyl)methyl]-4-methoxycarbonyl-5H-1,3-oxazol-2-yl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxidanylidene-butan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]methyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]butanoyl]pyrrolidin-2-yl]-4-[(3-chlorophenyl)methyl]-5H-1,3-oxazole-4-carboxylate

Systemtic Name: methyl (4R)-2-[(2S)-1-[(2S,3R)-2-[[(2S)-2-azanylpropanoyl]amino]-3-[[1-[[4-[[4-[[(2R)-4-[(2S)-2-[(4R)-4-[(3-chlorophenyl)methyl]-4-methoxycarbonyl-5H-1,3-oxazol-2-yl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxidanylidene-butan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]methyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]butanoyl]pyrrolidin-2-yl]-4-[(3-chlorophenyl)methyl]-5H-1,3-oxazole-4-carboxylate Openeye Name: methyl (4R)-2-[(2S)-1-[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-[[1-[[4-[[4-[[(1R)-3-[(2S)-2-[(4R)-4-[(3-chlorophenyl)methyl]-4-methoxycarbonyl-5H-oxazol-2-yl]pyrrolidin-1-yl]-1-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-3-oxo-propoxy]methyl]triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methoxy]butanoyl]pyrrolidin-2-yl]-4-[(3-chlorophenyl)methyl]-5H-oxazole-4-carboxylate CAS Name: (4R)-2-[(2S)-1-[(2S,3R)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-[[1-[[4-[[4-[[(2R)-4-[(2S)-2-[(4R)-4-[(3-chlorophenyl)methyl]-4-methoxycarbonyl-5H-oxazol-2-yl]-1-pyrrolidinyl]-3-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-4-oxobutan-2-yl]oxymethyl]-1-triazolyl]methyl]phenyl]methyl]-4-triazolyl]methoxy]-1-oxobutyl]-2-pyrrolidinyl]-4-[(3-chlorophenyl)methyl]-5H-oxazole-4-carboxylic acid methyl ester IUPAC Name: methyl (4R)-2-[(2S)-1-[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-[[1-[[4-[[4-[[(2R)-4-[(2S)-2-[(4R)-4-[(3-chlorophenyl)methyl]-4-methoxycarbonyl-5H-1,3-oxazol-2-yl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxymethyl]triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methoxy]butanoyl]pyrrolidin-2-yl]-4-[(3-chlorophenyl)methyl]-5H-1,3-oxazole-4-carboxylate Traditional Name: (4R)-2-[(2S)-1-[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-[[1-[4-[[4-[[(1R)-3-[(2S)-2-[(4R)-4-carbomethoxy-4-(3-chlorobenzyl)-2-oxazolin-2-yl]pyrrolidino]-3-keto-1-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]propoxy]methyl]triazol-1-yl]methyl]benzyl]triazol-4-yl]methoxy]butanoyl]pyrrolidin-2-yl]-4-(3-chlorobenzyl)-2-oxazoline-4-carboxylic acid methyl ester Formula: C61H76Cl2N14O12 MolecularWeight: 1268.24874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N1CCCC1C2=NC(CO2)(CC3=CC(=CC=C3)Cl)C(=O)OC)NC(=O)C(C)N)OCC4=CN(N=N4)CC5=CC=C(C=C5)CN6C=C(N=N6)COC(C)C(C(=O)N7CCCC7C8=NC(CO8)(CC9=CC(=CC=C9)Cl)C(=O)OC)NC(=O)C(C)NC

Isomeric SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C2=N[C@@](CO2)(CC3=CC(=CC=C3)Cl)C(=O)OC)NC(=O)[C@H](C)N)OCC4=CN(N=N4)CC5=CC=C(C=C5)CN6C=C(N=N6)CO[C@H](C)C(C(=O)N7CCC[C@H]7C8=N[C@@](CO8)(CC9=CC(=CC=C9)Cl)C(=O)OC)NC(=O)[C@H](C)NC

InChI

InChI=1S/C61H76Cl2N14O12/c1-36(64)52(78)66-50(56(80)76-22-10-16-48(76)54-68-60(34-88-54,58(82)84-6)26-42-12-8-14-44(62)24-42)38(3)86-32-46-30-74(72-70-46)28-40-18-20-41(21-19-40)29-75-31-47(71-73-75)33-87-39(4)51(67-53(79)37(2)65-5)57(81)77-23-11-17-49(77)55-69-61(35-89-55,59(83)85-7)27-43-13-9-15-45(63)25-43/h8-9,12-15,18-21,24-25,30-31,36-39,48-51,65H,10-11,16-17,22-23,26-29,32-35,64H2,1-7H3,(H,66,78)(H,67,79)/t36-,37-,38+,39+,48-,49-,50-,51?,60+,61+/m0/s1