4-[2-(2-amino-3-methylpentanamido)-3-(4-hydroxyphenyl)propanamido]-5-(2-{[1-({1-[(1-carbamoylethyl)carbamoyl]-2-methylbutyl}carbamoyl)-3-carboxypropyl]carbamoyl}pyrrolidin-1-yl)-5-oxopentanoic acid
AlkaPlorer ID: AK319632
Synonym: None
IUPAC Name: (4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Structure
SMILES: CC[C@H](C)[C@H](N)C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(O)=N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@H](C(O)=N[C@@H](C)C(=N)O)[C@@H](C)CC
InChI: InChI=1S/C39H60N8O12/c1-6-20(3)31(40)37(57)45-27(19-23-10-12-24(48)13-11-23)35(55)44-26(15-17-30(51)52)39(59)47-18-8-9-28(47)36(56)43-25(14-16-29(49)50)34(54)46-32(21(4)7-2)38(58)42-22(5)33(41)53/h10-13,20-22,25-28,31-32,48H,6-9,14-19,40H2,1-5H3,(H2,41,53)(H,42,58)(H,43,56)(H,44,55)(H,45,57)(H,46,54)(H,49,50)(H,51,52)/t20-,21-,22-,25-,26-,27-,28-,31-,32-/m0/s1
InChIKey: VTTWVWCMIXBJDI-ZBKHOHQESA-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: 832.9530000000001
TPSA？: 348.19000000000005
MolLogP？: 4.255470000000007
Number of H-Donors: 11
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|