2-(2-{[1-(2-amino-3-phenylpropanoyl)pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido)-4-methylpentanamide

AlkaPlorer ID: AK145453

Synonym: None

IUPAC Name: N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxamide

Structure

SMILES: CC(C)CC(N=C(O)C(CC1=CNC2=CC=CC=C12)N=C(O)C1CCCN1C(=O)C(N)CC1=CC=CC=C1)C(=N)O

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InChI: InChI=1S/C31H40N6O4/c1-19(2)15-25(28(33)38)35-29(39)26(17-21-18-34-24-12-7-6-11-22(21)24)36-30(40)27-13-8-14-37(27)31(41)23(32)16-20-9-4-3-5-10-20/h3-7,9-12,18-19,23,25-27,34H,8,13-17,32H2,1-2H3,(H2,33,38)(H,35,39)(H,36,40)

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InChIKey: UPEPKNCUFJAHRM-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Litoria rubella Litoria Hylidae Anura Amphibia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 560.6990000000004

TPSA: 171.38

MolLogP: 4.502970000000002

Number of H-Donors: 6

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information