cyclo[Ala-Ile-Pro-Phe-Asn-Ala-Met(O)]
AlkaPlorer ID: AK148869
Synonym: None
IUPAC Name: 2-[(3S,6S,9S,12S,15S,18S,21S)-18-benzyl-3-[(2S)-butan-2-yl]-6,12-dimethyl-9-(2-methylsulfinylethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-15-yl]acetamide
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](C)N=C(O)[C@H](CCS(C)=O)N=C(O)[C@H](C)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C35H52N8O9S/c1-6-19(2)28-35(51)43-15-10-13-26(43)34(50)41-24(17-22-11-8-7-9-12-22)33(49)40-25(18-27(36)44)32(48)38-20(3)29(45)39-23(14-16-53(5)52)31(47)37-21(4)30(46)42-28/h7-9,11-12,19-21,23-26,28H,6,10,13-18H2,1-5H3,(H2,36,44)(H,37,47)(H,38,48)(H,39,45)(H,40,49)(H,41,50)(H,42,46)/t19-,20-,21-,23-,24-,25-,26-,28-,53?/m0/s1
InChIKey: QDSFCWAUKOHAOZ-HVYTWZIXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stylissa flabelliformis | Stylissa | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 760.9149999999998
TPSA？: 277.0
MolLogP？: 3.9641700000000073
Number of H-Donors: 8
Number of H-Acceptors: 9
RingCount: 3