(2S)-N-[(2S)-1-[[(2S)-1-[[(2S,3S)-5-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-cyclohexyl-3-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1-[(2S)-3-(1H-imidazol-5-yl)-2-(3-methylbutanoylamino)propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S,3S)-5-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-cyclohexyl-3-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1-[(2S)-3-(1H-imidazol-5-yl)-2-(3-methylbutanoylamino)propanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-1-benzyl-2-[[(1S)-2-[[(1S,2S)-4-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-1-(cyclohexylmethyl)-2-hydroxy-4-oxo-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]-1-[(2S)-3-(1H-imidazol-5-yl)-2-(3-methylbutanoylamino)propanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S,3S)-5-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2S)-3-(1H-imidazol-5-yl)-2-[(3-methyl-1-oxobutyl)amino]-1-oxopropyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S,3S)-5-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2S)-3-(1H-imidazol-5-yl)-2-(3-methylbutanoylamino)propanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-1-benzyl-2-[[(1S)-2-[[(1S,2S)-4-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-1-(cyclohexylmethyl)-2-hydroxy-4-keto-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]-1-[(2S)-3-(1H-imidazol-5-yl)-2-(isovalerylamino)propanoyl]pyrrolidine-2-carboxamide Formula: C48H71N11O8 MolecularWeight: 930.14624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)CC(C(CC1CCCCC1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4C(=O)C(CC5=CN=CN5)NC(=O)CC(C)C)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)N)NC(=O)C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CN=CN5)NC(=O)CC(C)C)O

InChI

InChI=1S/C48H71N11O8/c1-29(2)18-36(44(49)63)54-43(62)24-41(60)35(20-31-12-7-5-8-13-31)56-46(65)38(22-33-25-50-27-52-33)57-45(64)37(21-32-14-9-6-10-15-32)58-47(66)40-16-11-17-59(40)48(67)39(23-34-26-51-28-53-34)55-42(61)19-30(3)4/h6,9-10,14-15,25-31,35-41,60H,5,7-8,11-13,16-24H2,1-4H3,(H2,49,63)(H,50,52)(H,51,53)(H,54,62)(H,55,61)(H,56,65)(H,57,64)(H,58,66)/t35-,36-,37-,38-,39-,40-,41-/m0/s1