PRD_000407

The representative PDB ID is 1CPI.

Chemical Component Summary
Name	1-{(2R)-2-[(8R,11S)-8-(2-amino-2-oxoethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]- 2-hydroxyethyl}-L-prolyl-L-isoleucyl-L-valinamide
Identifiers	(2S)-N-[(2S,3S)-1-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-1-[(2R)-2-[(3S,6S)-6-(2-azanyl-2-oxidanylidene-ethyl)-5,8-bis(oxidanylidene)-12-oxa-4,7-diazabicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-3-yl]-2-oxidanyl-ethyl]pyrrolidine-2-carboxamide
Formula	C₃₄ H₅₃ N₇ O₈
Molecular Weight	687.827
Type	PEPTIDE-LIKE
Isomeric SMILES	CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C[C@H]([C@@H]2Cc3ccc(cc3)OCCCC(=O)N[C@H](C(=O)N2)CC(=O)N)O
InChI	InChI=1S/C34H53N7O8/c1-5-20(4)30(34(48)39-29(19(2)3)31(36)45)40-33(47)25-8-6-14-41(25)18-26(42)23-16-21-10-12-22(13-11-21)49-15-7-9-28(44)37-24(17-27(35)43)32(46)38-23/h10-13,19-20,23-26,29-30,42H,5-9,14-18H2,1-4H3,(H2,35,43)(H2,36,45)(H,37,44)(H,38,46)(H,39,48)(H,40,47)/t20-,23+,24-,25-,26-,29-,30+/m1/s1
InChIKey	NTXPPIBCRQQDJL-OCOKSXSFSA-N
Composition	Polymer Sequences: ASN-RTY-PRO-ILE-VAL-NH2
BIRD class	INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Resource Name	Reference
PubChem	444478
ChEMBL	CHEMBL1235296