PRD_002557

Summary

Name:	Stapled peptide
Formula:	C80 H104 N27 O17
Fomular weight:	1715.852
Component type:	peptide-like
Polymer sequences:	ACE, GLY, GLY, ARG, LEU, TYR, GLY, PHE, LYS, TRP, HIS, GLY, GLY, GLY, NH2
Non-polymer components:
BIRD class:	Inhibitor
Represented as:	polymer

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES_CANONICAL	CACTVS	3.385	CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cn2cc(nn2)c3cc(cc(c3)c4cn(C[C@H](NC(=O)[C@H](Cc5c[nH]c[nH+]5)NC(=O)[C@H](Cc6c[nH]c7ccccc67)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc8ccccc8)NC(=O)CNC(=O)[C@H](Cc9ccc(O)cc9)NC1=O)C(=O)NCC(=O)NCC(N)=O)nn4)C(O)=O)NC(=O)CNC(C)=O
SMILES	CACTVS	3.385	CC(C)C[CH]1NC(=O)[CH](CCCNC(N)=[NH2+])NC(=O)[CH](Cn2cc(nn2)c3cc(cc(c3)c4cn(C[CH](NC(=O)[CH](Cc5c[nH]c[nH+]5)NC(=O)[CH](Cc6c[nH]c7ccccc67)NC(=O)[CH](CCCC[NH3+])NC(=O)[CH](Cc8ccccc8)NC(=O)CNC(=O)[CH](Cc9ccc(O)cc9)NC1=O)C(=O)NCC(=O)NCC(N)=O)nn4)C(O)=O)NC(=O)CNC(C)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(Cn2cc(nn2)-c3cc(cc(c3)C(=O)O)-c4cn(nn4)CC(C(=O)N[C@H](C(=O)N1)CCCNC(=[NH2+])N)NC(=O)CNC(=O)C)C(=O)NCC(=O)NCC(=O)N)Cc5c[nH]c[nH+]5)Cc6c[nH]c7c6cccc7)CCCC[NH3+])Cc8ccccc8)Cc9ccc(cc9)O
SMILES	OpenEye OEToolkits	2.0.7	CC(C)CC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(Cn2cc(nn2)-c3cc(cc(c3)C(=O)O)-c4cn(nn4)CC(C(=O)NC(C(=O)N1)CCCNC(=[NH2+])N)NC(=O)CNC(=O)C)C(=O)NCC(=O)NCC(=O)N)Cc5c[nH]c[nH+]5)Cc6c[nH]c7c6cccc7)CCCC[NH3+])Cc8ccccc8)Cc9ccc(cc9)O