(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)propanamido]-3-methylbutanamido]-3-hydroxypropanamido]acetamido}-4-methylpentanamido]-4-methylpentanamido]-3-hydroxybutanamido]-3-carbamoylpropanamido]-4-methylpentanoi
AlkaPlorer ID: AK228364
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid
Structure
SMILES: CC(C)C[C@H](N=C(O)[C@H](CC(=N)O)N=C(O)[C@@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)CN=C(O)[C@H](CO)N=C(O)[C@@H](N=C(O)[C@H](C)N=C(O)CN)C(C)C)[C@@H](C)O)C(=O)O
InChI: InChI=1S/C41H73N11O14/c1-18(2)11-24(46-31(57)16-44-35(59)28(17-53)50-39(63)32(21(7)8)51-34(58)22(9)45-30(56)15-42)36(60)47-25(12-19(3)4)38(62)52-33(23(10)54)40(64)48-26(14-29(43)55)37(61)49-27(41(65)66)13-20(5)6/h18-28,32-33,53-54H,11-17,42H2,1-10H3,(H2,43,55)(H,44,59)(H,45,56)(H,46,57)(H,47,60)(H,48,64)(H,49,61)(H,50,63)(H,51,58)(H,52,62)(H,65,66)/t22-,23+,24-,25-,26-,27-,28-,32-,33-/m0/s1
InChIKey: MPTBUMOQLJVQCC-HBCQRBKUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Limnodynastes salmini | Limnodynastes | Limnodynastidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 944.098
TPSA？: 441.17
MolLogP？: 3.6996700000000105
Number of H-Donors: 15
Number of H-Acceptors: 14
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|