PRD_000180

Antipain

PRD_000180 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1BCR.

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Chemical Component Summary
Name	Antipain
Identifiers	[[[(4S)-5-[[(2S)-1-[[(2S)-5-[[azaniumylidene(azanyl)methyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-4-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoylamino]pentyl]amino]-azanyl-methylidene]azanium
Formula	C₂₇ H₄₆ N₁₀ O₆
Molecular Weight	606.718
Type	PEPTIDE-LIKE
Isomeric SMILES	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=[NH2+])N)C=O)NC(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChI	InChI=1S/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)/p+2
InChIKey	SDNYTAYICBFYFH-UHFFFAOYSA-P
Composition	Polymer Sequences: FC0-ARG-VAL-OAR
BIRD class	ENZYME INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	89
Chiral Atom Count	4
Bond Count	89
Aromatic Bond Count	6

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.