(2S)-2-{[(2R)-1-[(4R,7S,10R,13S,16R,19R)-19-amino-13-[(2S)-butan-2-yl]-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-N-(carba
AlkaPlorer ID: AK020631
Synonym: None
IUPAC Name: 1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H](N)CSSC[C@@H](C(=O)N2CCCC2C(O)=N[C@@H](CC(C)C)C(O)=NCC(=N)O)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CCC(=N)O)N=C1O
InChI: InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31?,35-/m0/s1
InChIKey: XNOPRXBHLZRZKH-MQYCRUOZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bos taurus | Bos | Bovidae | Artiodactyla | Mammalia | Chordata | Metazoa | Eukaryota |
| Bubalus bubalis | Bubalus | Bovidae | Artiodactyla | Mammalia | Chordata | Metazoa | Eukaryota |
| Sophora viciifolia | Sophora | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Sophora alopecuroides | Sophora | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1007.207
TPSA？: 426.9300000000001
MolLogP？: 5.423410000000008
Number of H-Donors: 15
Number of H-Acceptors: 15
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|