None
AlkaPlorer ID: AK324350
Synonym: None
IUPAC Name: (2S)-2-[(2R,5S,8R,11R,14S,17S)-17-(3-aminopropyl)-14-[(2R)-butan-2-yl]-5-[(5-chloro-1H-indol-3-yl)methyl]-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-8-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]-2-hydroxyacetamide
Structure
SMILES: CC[C@@H](C)[C@@H]1N=C(O)[C@@H](CC(C)C)N=C(O)[C@@H](C(C)C)N=C(O)[C@H](CC2=CNC3=CC=C(Cl)C=C23)N=C(O)[C@@H]([C@H](O)C(=N)O)N=C(O)[C@H](CCCN)N=C1O
InChI: InChI=1S/C37H56ClN9O8/c1-7-19(6)28-36(54)42-24(9-8-12-39)32(50)47-29(30(48)31(40)49)37(55)44-26(14-20-16-41-23-11-10-21(38)15-22(20)23)34(52)45-27(18(4)5)35(53)43-25(13-17(2)3)33(51)46-28/h10-11,15-19,24-30,41,48H,7-9,12-14,39H2,1-6H3,(H2,40,49)(H,42,54)(H,43,53)(H,44,55)(H,45,52)(H,46,51)(H,47,50)/t19-,24+,25-,26+,27-,28+,29-,30+/m1/s1
InChIKey: CUXAULQHGRSWLF-SJQKXPIOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 790.3629999999999
TPSA？: 301.66
MolLogP？: 5.711270000000003
Number of H-Donors: 11
Number of H-Acceptors: 9
RingCount: 3