PRD_001129

Microcin C7 iso-ASN analog

PRD_001129 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3H9G.

Find entries where PRD_001129 is present

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	Microcin C7 iso-ASN analog
Identifiers	[azanyl-[[(4S)-5-[[(2S,3R)-1-[[2-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-1-azanyl-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-5-oxidanylidene-pentyl]amino]methylidene]azanium
Formula	C₂₈ H₅₁ N₁₂ O₁₁ S
Molecular Weight	763.843
Type	PEPTIDE-LIKE
Isomeric SMILES	C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N)NC(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@H](CCSC)N)O
InChI	InChI=1S/C28H50N12O11S/c1-12(23(47)39-16(22(31)46)10-20(44)45)36-26(50)17(9-18(30)42)37-19(43)11-35-27(51)21(13(2)41)40-25(49)15(5-4-7-34-28(32)33)38-24(48)14(29)6-8-52-3/h12-17,21,41H,4-11,29H2,1-3H3,(H2,30,42)(H2,31,46)(H,35,51)(H,36,50)(H,37,43)(H,38,48)(H,39,47)(H,40,49)(H,44,45)(H4,32,33,34)/p+1/t12-,13+,14-,15-,16+,17-,21+/m0/s1
InChIKey	BNFKGRSSNOJISL-FJHXPREYSA-O
Composition	Polymer Sequences: MET-ARG-THR-GLY-ASN-ALA-XSN
BIRD class	INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	103
Chiral Atom Count	7
Bond Count	102
Aromatic Bond Count	0

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.