Molecule

1-(2-amino-3-phenylpropanoyl)-N-{1-[2-({1-[(1-carbamoyl-3-methylbutyl)carbamoyl]-2-(1H-indol-3-yl)ethyl}carbamoyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl}pyrrolidine-2-carboxamide

AlkaPlorer ID: AK318314

Synonym: None

IUPAC Name: (2R)-N-[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide

Structure

SMILES: CC(C)C[C@H](N=C(O)[C@H](CC1=CNC2=CC=CC=C12)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N=C(O)[C@H]1CCCN1C(=O)[C@@H](N)CC1=CC=CC=C1)C(=N)O

InChI: InChI=1S/C45H56N8O6/c1-28(2)23-35(40(47)54)49-41(55)36(26-31-27-48-34-18-10-9-17-32(31)34)50-42(56)39-20-12-22-53(39)45(59)37(25-30-15-7-4-8-16-30)51-43(57)38-19-11-21-52(38)44(58)33(46)24-29-13-5-3-6-14-29/h3-10,13-18,27-28,33,35-39,48H,11-12,19-26,46H2,1-2H3,(H2,47,54)(H,49,55)(H,50,56)(H,51,57)/t33-,35-,36-,37-,38+,39-/m0/s1

InChIKey: HGXMMPSADYXEFH-DIEXDCLBSA-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: 163192929

LOTUS: LTS0247392

NPASS: NPC101446

Source

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

Properties Information

Molecule Weight: 804.9929999999999

TPSA？: 224.28

MolLogP？: 6.0617700000000045

Number of H-Donors: 7

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi