Structural Complex
Chemical ID: PRD_000402
IUPAC Name: methoxysuccinyl-alanyl-alanyl-prolyl-alanine chloromethyl ketone
Formal Charge: ?
Type: peptide-like
Physiochemical Descriptor:
Formula: C20 H33 Cl N4 O7
Molecular weight: 476.952
Hydrogen Bond Acceptor:
Hydrogen Bond Donor:
Rotatable Bonds:
Heavy Atoms:
Systematic name
Program Version Descriptor
ACDLabs 12.01 N-(4-methoxy-4-oxobutanoyl)-L-alanyl-L-alanyl-N-[(2R,3S)-4-chloro-3-hydroxybutan-2-yl]-L-prolinamide
OpenEye OEToolkits 1.7.6 methyl 4-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-4-chloranyl-3-oxidanyl-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 12.01 O=C(NC(C)C(O)CCl)C1N(C(=O)C(NC(=O)C(NC(=O)CCC(=O)OC)C)C)CCC1
InChI InChI 1.03 InChI=1S/C20H33ClN4O7/c1-11(15(26)10-21)23-19(30)14-6-5-9-25(14)20(31)13(3)24-18(29)12(2)22-16(27)7-8-17(28)32-4/h11-15,26H,5-10H2,1-4H3,(H,22,27)(H,23,30)(H,24,29)
InChIKey InChI 1.03 ZPNCQVUAKGJRMW-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.370 COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)[C@H](O)CCl
SMILES CACTVS 3.370 COC(=O)CCC(=O)N[CH](C)C(=O)N[CH](C)C(=O)N1CCC[CH]1C(=O)N[CH](C)[CH](O)CCl
SMILES_CANONICAL OpenEye OEToolkits 1.7.6 C[C@@H](C(CCl)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)OC
SMILES OpenEye OEToolkits 1.7.6 CC(C(CCl)O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(C)NC(=O)CCC(=O)OC
Feedback Form
Name
Email
Institute
Feedback