(2S,3S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-(2-aminoacetamido)-4-methylpentanamido]-3-methylpentanamido]-3-hydroxypropanamido]-3-carbamoylpropanamido]-4-methylpentanamido]acetamido}-3-methylpentanoic acid
AlkaPlorer ID: AK211019
Synonym: None
IUPAC Name: (2S,3S)-2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoic acid
Structure
SMILES: CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@H](C(=O)O)[C@@H](C)CC
InChI: InChI=1S/C35H63N9O11/c1-9-19(7)28(44-32(51)22(12-18(5)6)39-26(47)14-36)34(53)42-24(16-45)33(52)41-23(13-25(37)46)31(50)40-21(11-17(3)4)30(49)38-15-27(48)43-29(35(54)55)20(8)10-2/h17-24,28-29,45H,9-16,36H2,1-8H3,(H2,37,46)(H,38,49)(H,39,47)(H,40,50)(H,41,52)(H,42,53)(H,43,48)(H,44,51)(H,54,55)/t19-,20+,21+,22+,23+,24+,28+,29+/m1/s1
InChIKey: UGCXWVUSHLHZJY-UTRUBKBJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Limnodynastes salmini | Limnodynastes | Limnodynastidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 785.9409999999999
TPSA？: 330.3399999999999
MolLogP？: -2.893200000000005
Number of H-Donors: 11
Number of H-Acceptors: 11
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|