(+)-2-[4-[(-1-Acetimidoyl-4-piperidinyl)oxy]-3-(7-amidino-2-naphthyl)propionic acid
(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]propanoic acid
Molecular Identity
(+)-2-[4-[(-1-Acetimidoyl-4-piperidinyl)oxy]-3-(7-amidino-2-naphthyl)propionic acid
(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]propanoic acid
PubChem CID: 447216
2D Structure
Properties
C27H30N4O3
Molecular Formula
458.60
Molecular Weight
g/mol
458.2318
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
123
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
5
H-Bond Acceptors
727
Complexity
SMILES
Canonical SMILES
SMILES: CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)OIsomeric SMILES
SMILES: CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)[C@H](CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)OSynonyms(5)
(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACIDBX3BX5633Q27458559(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({1-[(1E)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]propanoic acid
Data from PubChem (NCBI)
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Molecular Structure
(+)-2-[4-[(-1-Acetimidoyl-4-piperidinyl)oxy]-3-(7-amidino-2-naphthyl)propionic acid
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Drug Network
Trials and conditions connected to (+)-2-[4-[(-1-Acetimidoyl-4-piperidinyl)oxy]-3-(7-amidino-2-naphthyl)propionic acid
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