Structural Complex
Chemical ID: PRD_001214
IUPAC Name: PKIDN(DPR) peptide
Formal Charge: ?
Type: peptide-like
Physiochemical Descriptor:
Formula: C30 H49 N8 O9
Molecular weight: 665.758
Hydrogen Bond Acceptor:
Hydrogen Bond Donor:
Rotatable Bonds:
Heavy Atoms:
Systematic name
Program Version Descriptor
ACDLabs 12.01 cyclo(L-alpha-aspartyl-L-asparaginyl-D-prolyl-L-prolyl-6-ammonio-L-norleucyl-L-isoleucyl)
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 12.01 O=C(O)CC1C(=O)NC(C(=O)N3C(C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)N1)C(C)CC)CCCC[NH3+])CCC2)CCC3)CC(=O)N
InChI InChI 1.03 InChI=1S/C30H48N8O9/c1-3-16(2)24-28(45)34-18(15-23(40)41)26(43)35-19(14-22(32)39)29(46)38-13-7-10-21(38)30(47)37-12-6-9-20(37)27(44)33-17(25(42)36-24)8-4-5-11-31/h16-21,24H,3-15,31H2,1-2H3,(H2,32,39)(H,33,44)(H,34,45)(H,35,43)(H,36,42)(H,40,41)/p+1/t16-,17-,18+,19+,20?,21+,24?/m1/s1
InChIKey InChI 1.03 KIAFWZKFKYWNTN-LLZGDSCHSA-O
SMILES_CANONICAL CACTVS 3.385 CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]2CCCN2C(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC1=O
SMILES CACTVS 3.385 CC[CH](C)[CH]1NC(=O)[CH](CCCC[NH3+])NC(=O)[CH]2CCCN2C(=O)[CH]3CCCN3C(=O)[CH](CC(N)=O)NC(=O)[CH](CC(O)=O)NC1=O
SMILES_CANONICAL OpenEye OEToolkits 1.7.6 CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N1)CCCC[NH3+])CC(=O)N)CC(=O)O
SMILES OpenEye OEToolkits 1.7.6 CCC(C)C1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NC(C(=O)N1)CCCC[NH3+])CC(=O)N)CC(=O)O
Feedback Form
Name
Email
Institute
Feedback