AP811   

GtoPdb Ligand ID: 4870

Synonyms: AP 811 | AP-811
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES CCC(C(C(=O)NC(C(=O)NC(C(=O)NCC(CC)C)CCCNC(=N)N)CC(=O)O)NC(=O)C(NC(=O)Cc1ccc(cc1)NC(=O)c1ccc2c(c1)cccc2)CCCNC(=N)C)C
Isomeric SMILES CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC[C@H](CC)C)CCCNC(=N)N)CC(=O)O)NC(=O)[C@@H](NC(=O)Cc1ccc(cc1)NC(=O)c1ccc2c(c1)cccc2)CCCNC(=N)C)C
InChI InChI=1S/C47H67N11O8/c1-6-28(3)27-53-43(63)36(14-11-23-52-47(49)50)56-45(65)38(26-40(60)61)57-46(66)41(29(4)7-2)58-44(64)37(15-10-22-51-30(5)48)55-39(59)24-31-16-20-35(21-17-31)54-42(62)34-19-18-32-12-8-9-13-33(32)25-34/h8-9,12-13,16-21,25,28-29,36-38,41H,6-7,10-11,14-15,22-24,26-27H2,1-5H3,(H2,48,51)(H,53,63)(H,54,62)(H,55,59)(H,56,65)(H,57,66)(H,58,64)(H,60,61)(H4,49,50,52)/t28-,29-,36-,37-,38-,41-/m0/s1
InChI Key SSSOLDGLOKWDSV-VLDRZRDYSA-N
Classification
Compound class Peptide or derivative
IUPAC Name
(3S)-3-{[(1S)-4-carbamimidamido-1-{[(2S)-2-methylbutyl]carbamoyl}butyl]carbamoyl}-3-[(2S,3S)-2-[(2S)-5-ethanimidamido-2-{2-[4-(naphthalene-2-amido)phenyl]acetamido}pentanamido]-3-methylpentanamido]propanoic acid
Synonyms
AP 811 | AP-811
Database Links
CAS Registry No. 124833-45-0
GtoPdb PubChem SID 178101571
PubChem CID 73755108
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