2-[(E)-{2-[(E)-{2-[(E)-(2-amino-1-hydroxyethylidene)amino]-1-hydroxyethylidene}amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene}amino]-5-carbamimidamidopentanoic acid

AlkaPlorer ID: AK143236

Synonym: None

IUPAC Name: 2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Structure

SMILES: N=C(N)NCCCC(N=C(O)C(CC1=CC=C(O)C=C1)N=C(O)CN=C(O)CN)C(=O)O

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InChI: InChI=1S/C19H29N7O6/c20-9-15(28)24-10-16(29)25-14(8-11-3-5-12(27)6-4-11)17(30)26-13(18(31)32)2-1-7-23-19(21)22/h3-6,13-14,27H,1-2,7-10,20H2,(H,24,28)(H,25,29)(H,26,30)(H,31,32)(H4,21,22,23)

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InChIKey: FJPHHBGPPJXISY-UHFFFAOYSA-N

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Reference

PubChem CID: 3705436

CAS: 70195-20-9

NPASS: NPC9444

COCONUT: CNP0276466

Source

Species Genus Family Order Class Phylum Kingdom Domain
Chaenomeles sinensis Chaenomeles Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 451.48400000000026

TPSA: 243.22

MolLogP: -0.1520299999999965

Number of H-Donors: 9

Number of H-Acceptors: 7

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information