Molecule

UNPD136864

AlkaPlorer ID: AK191398

Synonym: None

IUPAC Name: (2S)-2-amino-4-[[5-[(2S)-2-amino-5-[hydroxy-(5-hydroxy-3-methylpent-2-enoyl)amino]pentanoyl]oxy-3-methylpent-2-enoyl]-hydroxyamino]butanoic acid

Structure

SMILES: CC(=CC(=O)N(O)CCC[C@H](N)C(=O)OCCC(C)=CC(=O)N(O)CC[C@H](N)C(=O)O)CCO

InChI: InChI=1S/C21H36N4O9/c1-14(6-10-26)12-18(27)24(32)8-3-4-17(23)21(31)34-11-7-15(2)13-19(28)25(33)9-5-16(22)20(29)30/h12-13,16-17,26,32-33H,3-11,22-23H2,1-2H3,(H,29,30)/t16-,17-/m0/s1

InChIKey: QJCLTODKIFEDDC-IRXDYDNUSA-N

Reference

PubChem CID: 162904950

NPASS: NPC302291

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pseudocyphellaria crocata	Pseudocyphellaria	Lobariaceae	Peltigerales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Aconitum balfourii	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Crataegus sanguinea	Crataegus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Incarvillea mairei	Incarvillea	Bignoniaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Paysonia grandiflora	Paysonia	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cucumaria echinata	Cucumaria	Cucumariidae	Dendrochirotida	Holothuroidea	Echinodermata	Metazoa	Eukaryota
Colchicum bulbocodium	Colchicum	Colchicaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Crotalaria verrucosa	Crotalaria	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 488.5380000000003

TPSA？: 216.95

MolLogP？: -0.4601999999999956

Number of H-Donors: 6

Number of H-Acceptors: 10

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi