(2S)-6-amino-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]-3-carboxypropanamido]hexanoic acid
AlkaPlorer ID: AK181410
Synonym: None
IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid
Structure
SMILES: N=C(O)C[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](CO)N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)[C@@H](N)CC(=O)O)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CCCCN)C(=O)O
InChI: InChI=1S/C35H51N9O14/c36-11-5-4-9-20(35(57)58)39-32(54)23(16-28(49)50)41-31(53)22(15-26(38)46)42-33(55)25-10-6-12-44(25)34(56)24(17-45)43-30(52)21(13-18-7-2-1-3-8-18)40-29(51)19(37)14-27(47)48/h1-3,7-8,19-25,45H,4-6,9-17,36-37H2,(H2,38,46)(H,39,54)(H,40,51)(H,41,53)(H,42,55)(H,43,52)(H,47,48)(H,49,50)(H,57,58)/t19-,20-,21-,22-,23-,24-,25-/m0/s1
InChIKey: INWBEIPEODGOPI-HUVRVWIJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phytolacca americana | Phytolacca | Phytolaccaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 821.8419999999999
TPSA？: 411.51
MolLogP？: 0.2535700000000112
Number of H-Donors: 13
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|