PRD_000456

ACE-ALC-ARG-ALA-ODA-SER-LEU-NH2

PRD_000456 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1D5Z.

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Chemical Component Summary
Name	ACE-ALC-ARG-ALA-ODA-SER-LEU-NH2
Identifiers	[[[(4S)-4-[[(2S)-2-acetamido-3-cyclohexyl-propanoyl]amino]-5-[[(2S)-1-[[(4S,7S)-4-[[(2S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]-6,10-bis(oxidanylidene)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a][1,2]diazepin-7-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentyl]amino]-azanyl-methylidene]azanium
Formula	C₃₉ H₆₇ N₁₂ O₁₀
Molecular Weight	864.024
Type	PEPTIDE-LIKE
Isomeric SMILES	C[C@@H](C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@H](CC3CCCCC3)NC(=O)C
InChI	InChI=1S/C39H66N12O10/c1-21(2)18-27(32(40)55)48-36(59)29(20-52)49-37(60)30-13-9-17-50-31(54)15-14-26(38(61)51(30)50)47-33(56)22(3)44-34(57)25(12-8-16-43-39(41)42)46-35(58)28(45-23(4)53)19-24-10-6-5-7-11-24/h21-22,24-30,52H,5-20H2,1-4H3,(H2,40,55)(H,44,57)(H,45,53)(H,46,58)(H,47,56)(H,48,59)(H,49,60)(H4,41,42,43)/p+1/t22?,25?,26?,27-,28?,29+,30-/m1/s1
InChIKey	QEKRSNWQHABWQX-QKWKVEPTSA-O
Composition	Polymer Sequences: ACE-ALC-ARG-ALA-ODA-SER-LEU-NH2
BIRD class	INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	128
Chiral Atom Count	7
Bond Count	130
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.