(2S)-N-[(1R)-1-{[(1S)-1-{[(2S)-6-amino-1-[(2S)-2-{[(1S)-1-carbamoyl-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(indol-3-yl)ethyl]-2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-5-carbamimidamidopentanamide; acetic acid

Formula: C63H90N15O11S

SMILES: CC(O)=O.CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O

IUPAC: (2S)-N-[(1R)-1-{[(1S)-1-{[(2S)-6-amino-1-[(2S)-2-{[(1S)-1-carbamoyl-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(indol-3-yl)ethyl]-2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-5-carbamimidamidopentanamide; acetic acid

InChI: InChI=1S/C61H86N15O9S.C2H4O2/c1-37(2)51(52(64)77)74-58(83)50-26-16-31-76(50)60(85)45(23-12-13-28-62)70-55(80)46(33-38-17-6-4-7-18-38)71-56(81)48(35-40-36-68-43-22-11-10-21-41(40)43)72-53(78)44(24-14-29-67-61(65)66)69-54(79)47(34-39-19-8-5-9-20-39)73-57(82

Composition: C (59.79%), H (7.17%), N (16.60%), O (13.91%), S (2.53%)

Molar Mass: 1265.57

Atom Count: 180

Heavy Atom Count: 90