Zosurabalpin
4-[(11S,14S,17S)-14-(4-aminobutyl)-11-(3-aminopropyl)-17-(1H-indol-3-ylmethyl)-16-methyl-12,15,18-trioxo-2-thia-4,10,13,16,19-pentazatricyclo[19.4.0.03,8]pentacosa-1(25),3(8),4,6,21,23-hexaen-22-yl]benzoic acid
Molecular Identity
Zosurabalpin
4-[(11S,14S,17S)-14-(4-aminobutyl)-11-(3-aminopropyl)-17-(1H-indol-3-ylmethyl)-16-methyl-12,15,18-trioxo-2-thia-4,10,13,16,19-pentazatricyclo[19.4.0.03,8]pentacosa-1(25),3(8),4,6,21,23-hexaen-22-yl]benzoic acid
PubChem CID: 148636827
2D Structure
Properties
C43H50N8O5S
Molecular Formula
791.00
Molecular Weight
g/mol
790.3625
Exact Mass
Da
1.4
XLogP
Drug-like (Lipinski: < 5)
234
TPSA
May have limited oral absorption
7
H-Bond Donors
10
H-Bond Acceptors
1320
Complexity
SMILES
Canonical SMILES
SMILES: CN1C(C(=O)NCC2=C(C=CC=C2SC3=C(CNC(C(=O)NC(C1=O)CCCCN)CCCN)C=CC=N3)C4=CC=C(C=C4)C(=O)O)CC5=CNC6=CC=CC=C65Isomeric SMILES
SMILES: CN1[C@H](C(=O)NCC2=C(C=CC=C2SC3=C(CN[C@H](C(=O)N[C@H](C1=O)CCCCN)CCCN)C=CC=N3)C4=CC=C(C=C4)C(=O)O)CC5=CNC6=CC=CC=C65Synonyms(20)
Zosurabalpin2379336-76-0RG6006Abx MCPRO72232804-((11S,14S,17S)-14-(4-Aminobutyl)-11-(3-aminopropyl)-17-(1H-indol-3-ylmethyl)-16-methyl-12,15,18-trioxo-2-thia-4,10,13,16,19-pentazatricyclo(19.4.0.03,8)pentacosa-1(25),3(8),4,6,21,23-hexaen-22-yl)benzoic acid4-[(11S,14S,17S)-14-(4-aminobutyl)-11-(3-aminopropyl)-17-(1H-indol-3-ylmethyl)-16-methyl-12,15,18-trioxo-2-thia-4,10,13,16,19-pentazatricyclo[19.4.0.03,8]pentacosa-1(25),3(8),4,6,21,23-hexaen-22-yl]benzoic acidL-Tryptophanamide, N2-((2-mercapto-3-pyridinyl)methyl)-L-ornithyl-L-lysyl-N-((4'-carboxy-3-mercapto(1,1'-biphenyl)-2-yl)methyl)-N2-methyl-, cyclic (1->3)-thioetherRefChem:2035075Y6W5N1U0SRG-6006RO-7223280ZosurabalpinaZosurabalpinezosurabalpin [INN]
Data from PubChem (NCBI)
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