Antipain

PubChem Notes:

Antipain An oligopeptide produced by various bacteria which acts as a protease inhibitor.

Molecular Formula: C₂₇H₄₄N₁₀O₆

InChI: InChI=1/C27H44N10O6/c1-16(2)21(23(40)34-18(15-38)10-6-12-32-25(28)29)37-22(39)19(11-7-13-33-26(30)31)35-27(43)36-20(24(41)42)14-17-8-4-3-5-9-17/h3-5,8-9,15-16,18-21H,6-7,10-14H2,1-2H3,(H,34,40)(H,37,39)(H,41,42)(H4,28,29,32)(H4,30,31,33)(H2,35,36,43)/t18u,19-,20u,21-/m0/s1/f/h34-37,41H,28-31H2

InChIKey: InChIKey=SDNYTAYICBFYFH-OXKYCELMDP
SMILES: CC(C)C(C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C(CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O

Names:
    Antipain
    MLS000028862
    SMR000059007
    2-[[(1S)-4-(diaminomethylideneamino)-1-[[(1S)-1-[[5-(diaminomethylideneamino)-1-oxo-pentan-2-yl]carbamoyl]-2-methyl-propyl]carbamoyl]butyl]carbamoylamino]-3-phenyl-propanoic acid

Registries:
PubChem CID 6852398
PubChem ID 11532991