Molecules/(2S,3aS,6R,7aS)-N-[2-(1-carbamimidoylpyrrolidin-3-yl)ethyl]-6-hydroxy-1-[(2R)-2-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
(2S,3aS,6R,7aS)-N-[2-(1-carbamimidoylpyrrolidin-3-yl)ethyl]-6-hydroxy-1-[(2R)-2-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
(2S,3aS,6R,7aS)-N-[2-(1-carbamimidoylpyrrolidin-3-yl)ethyl]-6-hydroxy-1-[(2R)-2-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
Molecular Identity
(2S,3aS,6R,7aS)-N-[2-(1-carbamimidoylpyrrolidin-3-yl)ethyl]-6-hydroxy-1-[(2R)-2-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
(2S,3aS,6R,7aS)-N-[2-(1-carbamimidoylpyrrolidin-3-yl)ethyl]-6-hydroxy-1-[(2R)-2-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
PubChem CID: 448358
2D Structure
Properties
C34H46N6O5
Molecular Formula
618.80
Molecular Weight
g/mol
618.3530
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
172
TPSA
May have limited oral absorption
6
H-Bond Donors
6
H-Bond Acceptors
1030
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(CC2C1CC(N2C(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)O)C(=O)NCCC5CCN(C5)C(=N)N)OIsomeric SMILES
SMILES: C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2C(=O)[C@@H](CC3=CC=CC=C3)NC(=O)[C@@H](CC4=CC=CC=C4)O)C(=O)NCCC5CCN(C5)C(=N)N)OSynonyms(1)
OSC
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Molecular Structure
(2S,3aS,6R,7aS)-N-[2-(1-carbamimidoylpyrrolidin-3-yl)ethyl]-6-hydroxy-1-[(2R)-2-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
Loading structure...
Drug Network
Trials and conditions connected to (2S,3aS,6R,7aS)-N-[2-(1-carbamimidoylpyrrolidin-3-yl)ethyl]-6-hydroxy-1-[(2R)-2-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
Loading drug network...