None
AlkaPlorer ID: AK324349
Synonym: None
IUPAC Name: (2S)-2-[(2R,5S,8R,11R,14S,17S)-17-(3-aminopropyl)-11-benzyl-14-[(2R)-butan-2-yl]-5-[(5-chloro-1H-indol-3-yl)methyl]-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](CC2=CC=CC=C2)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/C40H54ClN9O8/c1-5-21(4)31-39(57)45-27(12-9-15-42)35(53)50-32(33(51)34(43)52)40(58)47-29(17-23-19-44-26-14-13-24(41)18-25(23)26)37(55)48-30(20(2)3)38(56)46-28(36(54)49-31)16-22-10-7-6-8-11-22/h6-8,10-11,13-14,18-21,27-33,44,51H,5,9,12,15-17,42H2,1-4H3,(H2,43,52)(H,45,57)(H,46,56)(H,47,58)(H,48,55)(H,49,54)(H,50,53)/t21-,27+,28-,29+,30-,31+,32-,33+/m1/s1
InChIKey: AUAKLAUQIRQCCF-XMDALUGASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 824.3799999999999
TPSA？: 301.66
MolLogP？: 5.907870000000003
Number of H-Donors: 11
Number of H-Acceptors: 9
RingCount: 4