(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]-3-methylpentanamide
AlkaPlorer ID: AK247200
Synonym: None
IUPAC Name: (2S)-N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@@H](N)CC1=CC=CC=C1)C(C)C)C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(O)=N[C@@H](CCSC)C(=N)O
InChI: InChI=1S/C39H57N7O7S/c1-6-24(4)33(38(52)43-30(22-26-14-16-27(47)17-15-26)36(50)42-29(34(41)48)18-20-54-5)45-37(51)31-13-10-19-46(31)39(53)32(23(2)3)44-35(49)28(40)21-25-11-8-7-9-12-25/h7-9,11-12,14-17,23-24,28-33,47H,6,10,13,18-22,40H2,1-5H3,(H2,41,48)(H,42,50)(H,43,52)(H,44,49)(H,45,51)/t24-,28-,29-,30-,31-,32-,33-/m0/s1
InChIKey: YBRZZPQHPRPVSN-JKRCYJHESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rohdea chinensis | Rohdea | Asparagaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Crossopetalum gaumeri | Crossopetalum | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 767.9940000000001
TPSA？: 241.0
MolLogP？: 5.7865700000000055
Number of H-Donors: 8
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|