(Q76010339)

English

(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoic acid

chemical compound

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Statements

type of chemical entity

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chemical compound

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444.21614075599996 dalton

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based on heuristic

inferred from isomeric SMILES

stereoisomer of

(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₂₈N₄O₃

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canonical SMILES

CC(=N)N1CCC(Oc2ccc(C(Cc3ccc4ccc(C(=N)N)cc4c3)C(=O)O)cc2)C1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(=N)N1CC[C@@H](C1)OC2=CC=C(C=C2)[C@H](CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O

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Identifiers

InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1

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AGRCGQSFFMCBRE-ZEQRLZLVSA-N

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matched by identifier from

AGRCGQSFFMCBRE-ZEQRLZLVSA-N

UniChem compound ID

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DSSTox substance ID

DTXSID301026337

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matched by identifier from

AGRCGQSFFMCBRE-ZEQRLZLVSA-N

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matched by identifier from

AGRCGQSFFMCBRE-ZEQRLZLVSA-N

Probes And Drugs ID

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