PRD_000778

The representative PDB ID is 4GYE.

Chemical Component Summary
Name	N-[(2S)-2-({N~5~-[(1E)-ethanimidoyl]-L-ornithyl-L-valyl}amino)-3-phenylpropyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucine
Identifiers	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-5-(ethanimidoylamino)pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propyl]amino]-3-phenyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]hexanoic acid
Formula	C₄₄ H₆₇ N₉ O₉
Molecular Weight	866.058
Type	PEPTIDE-LIKE
Isomeric SMILES	CCCC[C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)C)N
InChI	InChI=1S/C44H67N9O9/c1-6-7-20-35(44(61)62)52-39(56)28(4)49-41(58)34(21-22-37(54)55)51-42(59)36(25-31-17-12-9-13-18-31)48-26-32(24-30-15-10-8-11-16-30)50-43(60)38(27(2)3)53-40(57)33(46)19-14-23-47-29(5)45/h8-13,15-18,27-28,32-36,38,48H,6-7,14,19-26,46H2,1-5H3,(H2,45,47)(H,49,58)(H,50,60)(H,51,59)(H,52,56)(H,53,57)(H,54,55)(H,61,62)/t28-,32+,33-,34+,35+,36-,38-/m1/s1
InChIKey	HGNVQYYNOCAPCH-ZTDUAGGMSA-N
Composition	Polymer Sequences: ILO-VAL-PUK-GLU-ALA-NLE
BIRD class	INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Resource Name	Reference
PubChem	71748662