Molecule

(4S)-4-[(2S,3S)-2-amino-3-methylpentanamido]-4-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

AlkaPlorer ID: AK259075

Synonym: None

IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-oxopentanoic acid

Structure

SMILES: CC[C@H](C)[C@H](N)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC1=CC=CC=C1)C(O)=N[C@@H](CC1=CC=CC=C1)C(O)=N[C@H](C(=N)O)[C@@H](C)O

InChI: InChI=1S/C33H46N6O8/c1-4-19(2)27(34)33(47)36-23(15-16-26(41)42)30(44)37-24(17-21-11-7-5-8-12-21)31(45)38-25(18-22-13-9-6-10-14-22)32(46)39-28(20(3)40)29(35)43/h5-14,19-20,23-25,27-28,40H,4,15-18,34H2,1-3H3,(H2,35,43)(H,36,47)(H,37,44)(H,38,45)(H,39,46)(H,41,42)/t19-,20+,23-,24-,25-,27-,28-/m0/s1

InChIKey: HZNADSRIMHBKEK-QCEBRQBSSA-N

Reference

The Structures of New Peptides From the Australian Red Tree Frog 'Litoria rubella'. The Skin Peptide Profile as a Probe for the Study of Evolutionary Trends of Amphibians

PubChem CID: 10349327

LOTUS: LTS0069662

SuperNatural Ⅲ: SN0139703-01

NPASS: NPC297

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Mycoleptodonoides aitchisonii	Mycoleptodonoides	None	Polyporales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 654.7650000000002

TPSA？: 257.98999999999995

MolLogP？: 3.9264700000000032

Number of H-Donors: 9

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi