Unii-616BV6U9G8
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34R)-34-amino-22-(2-amino-2-oxoethyl)-25-(carboxymethyl)-13,16,19-tris(hydroxymethyl)-28,31-bis[(4-hydroxyphenyl)methyl]-7-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoic acid
Molecular Identity
Unii-616BV6U9G8
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34R)-34-amino-22-(2-amino-2-oxoethyl)-25-(carboxymethyl)-13,16,19-tris(hydroxymethyl)-28,31-bis[(4-hydroxyphenyl)methyl]-7-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoic acid
PubChem CID: 163203601
2D Structure
Properties
C82H124N24O27S2
Molecular Formula
1942.10
Molecular Weight
g/mol
1940.8509
Exact Mass
Da
-10.2
XLogP
Drug-like (Lipinski: < 5)
922
TPSA
May have limited oral absorption
33
H-Bond Donors
33
H-Bond Acceptors
3970
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)CC1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)C)CO)CO)CO)CC(=O)N)CC(=O)O)CC2=CC=C(C=C2)O)CC3=CC=C(C=C3)O)N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)OIsomeric SMILES
SMILES: CC(C)C[C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CO)CO)CO)CC(=O)N)CC(=O)O)CC2=CC=C(C=C2)O)CC3=CC=C(C=C3)O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)OSynonyms(7)
UNII-616BV6U9G8THR184THR-184616BV6U9G8930274-80-9L-Cysteinyl-L-tyrosyl-L-tyrosyl-L-alpha-aspartyl-L-asparaginyl-L-seryl-L-seryl-L-seryl-L-valyl-L-leucyl-L-cysteinyl-L-lysyl-L-arginyl-L-tyrosyl-L-arginyl-L-serineKLWPNIRYLYZAHQ-OQGSPRNHSA-N
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Unii-616BV6U9G8
Loading drug network...