(3S)-3-[(2S)-2-aminopropanamido]-3-{[(1S)-1-{[(1S,2S)-1-[({[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamoyl}ethyl]carbamoyl}(substituted )methyl)carbamoyl]-2-methylbutyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

CAS: 153130-59-7

Formula: C43H69N12O13R#S

SMILES: [H]N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([*])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](C)C(O)=O

IUPAC: (3S)-3-[(2S)-2-aminopropanamido]-3-{[(1S)-1-{[(1S,2S)-1-[({[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamoyl}ethyl]carbamoyl}(substituted )methyl)carbamoyl]-2-methylbutyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

InChI: N/A

Composition: C (51.95%), H (7.00%), (0.00%), N (16.91%), O (20.92%), S (3.22%)

Molar Mass: 994

Atom Count: 139

Heavy Atom Count: 70