(2S)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-N-[(1S)-1-[[(1S)-1-[[(1S)-1-[2-[[(1S)-1-[[(1S)-1-[[(1S)-1-carbamoylpentyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]-2-(3H-imidazol-4-yl)ethyl]carbamoyl]ethylcarbamoyl]-2-methyl-propyl]carbamoyl]ethyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]pentanediamide

Molecular Formula: C57H76N14O10


InChI: InChI=1/C57H76N14O10/c1-5-6-20-42(50(60)74)67-55(79)44(27-36-17-11-8-12-18-36)69-56(80)46(29-38-31-61-32-64-38)66-48(73)24-25-62-57(81)49(33(2)3)71-51(75)34(4)65-54(78)45(28-37-30-63-41-21-14-13-19-39(37)41)70-53(77)43(22-23-47(59)72)68-52(76)40(58)26-35-15-9-7-10-16-35/h7-19,21,30-34,40,42-46,49,63H,5-6,20,22-29,58H2,1-4H3,(H2,59,72)(H2,60,74)(H,61,64)(H,62,81)(H,65,78)(H,66,73)(H,67,79)(H,68,76)(H,69,80)(H,70,77)(H,71,75)/t34-,40+,42-,43-,44-,45-,46-,49-/m0/s1/f/h62,64-71H,59-60H2

InChIKey: InChIKey=JPWXPXQFZARKAW-FWBPJESRDV
SMILES: CCCCC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CN=CN2)NC(=O)CCNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCC(=O)N)NC(=O)C(CC5=CC=CC=C5)N

Names:
    (2S)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-N-[(1S)-1-[[(1S)-1-[[(1S)-1-[2-[[(1S)-1-[[(1S)-1-[[(1S)-1-carbamoylpentyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]-2-(3H-imidazol-4-yl)ethyl]carbamoyl]ethylcarbamoyl]-2-methyl-propyl]carbamoyl]ethyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]pentanediamide

Registries:
    PubChem CID 6324612
    PubChem ID 11600130