PRD_001057

ACETYL-PEPSTATIN

PRD_001057 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4EXH.

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Chemical Component Summary
Name	ACETYL-PEPSTATIN
Identifiers	(3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-6-methyl-3-oxidanyl-heptanoyl]amino]propanoyl]amino]-6-methyl-3-oxidanyl-heptanoic acid
Formula	C₃₁ H₅₇ N₅ O₉
Molecular Weight	643.812
Type	PEPTIDE-LIKE
Isomeric SMILES	C[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)O)O)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C)O
InChI	InChI=1S/C31H57N5O9/c1-15(2)11-21(35-30(44)28(18(7)8)36-31(45)27(17(5)6)33-20(10)37)23(38)13-25(40)32-19(9)29(43)34-22(12-16(3)4)24(39)14-26(41)42/h15-19,21-24,27-28,38-39H,11-14H2,1-10H3,(H,32,40)(H,33,37)(H,34,43)(H,35,44)(H,36,45)(H,41,42)/t19-,21-,22+,23+,24-,27?,28+/m1/s1
InChIKey	WKYBEGDEGRCZNF-YMWHFJKQSA-N
Composition	Polymer Sequences: ACE-VAL-VAL-STA-ALA-STA
BIRD class	INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	102
Chiral Atom Count	7
Bond Count	101
Aromatic Bond Count	0

Related Resource References

Resource Name	Reference
PubChem	5481345
ChEMBL	CHEMBL301728

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