(2S)-6-amino-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-N-[(1S)-1-{[(1S)-1-{[(1R)-1-carbamoyl-2-(naphthalen-2-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-methylpropyl]hexanamide

CAS: 150155-61-6

Formula: C71H81N11O9

SMILES: CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](CC1=CC2=CC=CC=C2C=C1)C(N)=O

IUPAC: (2S)-6-amino-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-N-[(1S)-1-{[(1S)-1-{[(1R)-1-carbamoyl-2-(naphthalen-2-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-methylpropyl]hexanamide

InChI: InChI=1S/C71H81N11O9/c1-44(2)63(71(91)81-61(39-47-22-10-5-11-23-47)67(87)77-58(64(74)84)41-49-29-32-50-24-12-13-25-51(50)36-49)82-66(86)57(28-16-17-35-72)76-70(90)62(42-52-43-75-56-27-15-14-26-54(52)56)80-69(89)60(40-48-30-33-53(83)34-31-48)79-68(88)59(38

Composition: C (69.19%), H (6.62%), N (12.50%), O (11.68%)

Molar Mass: 1232.497

Atom Count: 172

Heavy Atom Count: 91