(2S,3S)-N-[(2S)-1-azanyl-5-(3,3-dimethylbutanoylamino)-1-oxidanylidene-pentan-2-yl]-1-(3,3-dimethylbutanoyl)-3-(prop-2-enylcarbamoylamino)pyrrolidine-2-carboxamide

Systemtic Name: (2S,3S)-N-[(2S)-1-azanyl-5-(3,3-dimethylbutanoylamino)-1-oxidanylidene-pentan-2-yl]-1-(3,3-dimethylbutanoyl)-3-(prop-2-enylcarbamoylamino)pyrrolidine-2-carboxamide Openeye Name: (2S,3S)-3-(allylcarbamoylamino)-N-[(1S)-1-carbamoyl-4-(3,3-dimethylbutanoylamino)butyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide CAS Name: (2S,3S)-N-[(2S)-1-amino-5-[(3,3-dimethyl-1-oxobutyl)amino]-1-oxopentan-2-yl]-1-(3,3-dimethyl-1-oxobutyl)-3-[[oxo-(prop-2-enylamino)methyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: (2S,3S)-N-[(2S)-1-amino-5-(3,3-dimethylbutanoylamino)-1-oxopentan-2-yl]-1-(3,3-dimethylbutanoyl)-3-(prop-2-enylcarbamoylamino)pyrrolidine-2-carboxamide Traditional Name: (2S,3S)-3-(allylcarbamoylamino)-N-[(1S)-1-carbamoyl-4-(3,3-dimethylbutanoylamino)butyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide Formula: C26H46N6O5 MolecularWeight: 522.68064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NCCCC(C(=O)N)NC(=O)C1C(CCN1C(=O)CC(C)(C)C)NC(=O)NCC=C

Isomeric SMILES

CC(C)(C)CC(=O)NCCC[C@@H](C(=O)N)NC(=O)[C@@H]1[C@H](CCN1C(=O)CC(C)(C)C)NC(=O)NCC=C

InChI

InChI=1S/C26H46N6O5/c1-8-12-29-24(37)31-17-11-14-32(20(34)16-26(5,6)7)21(17)23(36)30-18(22(27)35)10-9-13-28-19(33)15-25(2,3)4/h8,17-18,21H,1,9-16H2,2-7H3,(H2,27,35)(H,28,33)(H,30,36)(H2,29,31,37)/t17-,18-,21-/m0/s1