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

Systemtic Name: (2R)-N-[(2S,3S)-1-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-1-[2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-methylbutanoylamino)propanoyl]amino]propanoyl]amino]ethanoyl]pyrrolidine-2-carboxamide Openeye Name: (2R)-N-[(1S,2S)-1-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]-1-[2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-methylbutanoylamino)propanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carboxamide CAS Name: (2R)-N-[(2S,3S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-[2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[(3-methyl-1-oxobutyl)amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-[(2S,3S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-[2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-methylbutanoylamino)propanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carboxamide Traditional Name: (2R)-N-[(1S,2S)-1-[[(1S)-2-amino-2-keto-1-methyl-ethyl]carbamoyl]-2-methyl-butyl]-1-[2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(isovalerylamino)propanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carboxamide Formula: C30H49N9O7 MolecularWeight: 647.76616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)N)NC(=O)C1CCCN1C(=O)CNC(=O)C(C)NC(=O)C(CC2=CN=CN2)NC(=O)CC(C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)CC(C)C

InChI

InChI=1S/C30H49N9O7/c1-7-17(4)25(30(46)35-18(5)26(31)42)38-29(45)22-9-8-10-39(22)24(41)14-33-27(43)19(6)36-28(44)21(12-20-13-32-15-34-20)37-23(40)11-16(2)3/h13,15-19,21-22,25H,7-12,14H2,1-6H3,(H2,31,42)(H,32,34)(H,33,43)(H,35,46)(H,36,44)(H,37,40)(H,38,45)/t17-,18-,19-,21-,22+,25-/m0/s1