BC-264   

GtoPdb Ligand ID: 897

Synonyms: BC 264 | BC264
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES CCCCC(NC(=O)C(Cc1ccc(cc1)OS(=O)(=O)O)NC(=O)OC(C)(C)C)NC(=O)C(NC(=O)C(NC(=O)C(N(C(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CC(=O)N)C)CCCC)CC(=O)O)Cc1ccccc1
Isomeric SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)OS(=O)(=O)O)NC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CC(=O)N)C)CCCC)CC(=O)O)Cc1ccccc1
InChI InChI=1S/C53H71N9O15S/c1-7-9-20-42(62(6)51(71)41(56-45(64)30-43(54)63)28-34-31-55-37-19-15-14-18-36(34)37)50(70)58-40(29-46(65)66)47(67)57-38(26-32-16-12-11-13-17-32)48(68)60-44(21-10-8-2)61-49(69)39(59-52(72)76-53(3,4)5)27-33-22-24-35(25-23-33)77-78(73,74)75/h11-19,22-25,31,38-42,44,55H,7-10,20-21,26-30H2,1-6H3,(H2,54,63)(H,56,64)(H,57,67)(H,58,70)(H,59,72)(H,60,68)(H,61,69)(H,65,66)(H,73,74,75)/t38-,39-,40-,41-,42-,44-/m0/s1
InChI Key LEXXPLMUWFLNAN-OZUMUDGSSA-N
Classification
Compound class Peptide or derivative
IUPAC Name
(3S)-3-[[(2S)-2-[[(2S)-2-[(3-amino-3-oxopropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]-methylamino]hexanoyl]amino]-4-[[(2S)-1-[[(1S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]pentyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Synonyms
BC 264 | BC264
Database Links
CAS Registry No. 130930-59-5 (source: Scifinder)
GtoPdb PubChem SID 135652012
PubChem CID 5311016
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