PRD_001148

BIVALIRUDIN C-terminus fragment

PRD_001148 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3VXE.

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Chemical Component Summary
Name	BIVALIRUDIN C-terminus fragment
Identifiers	[azanyl-[[(4S)-4-[[(2S)-1-[(2R)-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentyl]amino]methylidene]azanium
Formula	C₂₀ H₃₁ N₆ O₄
Molecular Weight	419.498
Type	PEPTIDE-LIKE
Isomeric SMILES	c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)O)N
InChI	InChI=1S/C20H30N6O4/c21-14(12-13-6-2-1-3-7-13)18(28)26-11-5-9-16(26)17(27)25-15(19(29)30)8-4-10-24-20(22)23/h1-3,6-7,14-16H,4-5,8-12,21H2,(H,25,27)(H,29,30)(H4,22,23,24)/p+1/t14-,15+,16+/m1/s1
InChIKey	NTUPOKHATNSWCY-PMPSAXMXSA-O
Composition	Polymer Sequences: DPN-PRO-ARG
BIRD class	THROMBIN INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	61
Chiral Atom Count	3
Bond Count	62
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.