Chembl265611

Structural Information

Molecular Formula

C₅₂H₈₁N₁₇O₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C52H81N17O9/c1-3-31(2)43(69-45(72)35(55)25-32-15-6-4-7-16-32)51(78)68-40(27-34-29-60-30-62-34)49(76)67-41(28-42(56)70)50(77)66-39(26-33-17-8-5-9-18-33)48(75)65-37(20-11-13-23-54)47(74)64-38(21-14-24-61-52(58)59)46(73)63-36(44(57)71)19-10-12-22-53/h4-9,15-18,29-31,35-41,43H,3,10-14,19-28,53-55H2,1-2H3,(H2,56,70)(H2,57,71)(H,60,62)(H,63,73)(H,64,74)(H,65,75)(H,66,77)(H,67,76)(H,68,78)(H,69,72)(H4,58,59,61)/t31-,35-,36-,37-,38-,39-,40-,41-,43-/m0/s1

InChIKey

HDKRQMQCXCUKCZ-IQZOZZQVSA-N

Compound name

(2S)-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]butanediamide

Related CIDs

• CID 11847269