10-{3-[(diaminomethylidene)amino]propyl}-25-(2-methylpropyl)-9,12,18,21,24,27-hexaoxo-28-(5-oxopyrrolidine-2-amido)-22,29-bis(propan-2-yl)-2,4,8,11,17,20,23,26,35-nonaazahexacyclo[17.16.2.1²,?.1³?,³?.0¹³,¹?.0³³,³?]nonatriaconta-1(36),3,5(39),30,32,34(38)-hexaene-7-carboxylic acid
AlkaPlorer ID: AK010241
Synonym: None
IUPAC Name: (7S,10S,13S,19S,22S,25S,28S,29R)-10-[3-(diaminomethylideneamino)propyl]-25-(2-methylpropyl)-9,12,18,21,24,27-hexaoxo-28-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-22,29-di(propan-2-yl)-2,4,8,11,17,20,23,26,35-nonazahexacyclo[17.16.2.12,5.130,34.013,17.033,36]nonatriaconta-1(36),3,5(39),30(38),31,33-hexaene-7-carboxylic acid
Structure
SMILES: CC(C)C[C@@H]1N=C(O)[C@@H](N=C(O)[C@@H]2CCC(O)=N2)[C@H](C(C)C)C2=CC=C3C4=C(NC3=C2)N2C=NC(=C2)C[C@@H](C(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]2CCCN2C(=O)[C@H](C4)N=C(O)[C@H](C(C)C)N=C1O
InChI: InChI=1S/C50H70N14O10/c1-23(2)17-33-44(68)61-39(25(5)6)46(70)59-34-20-29-28-12-11-26(38(24(3)4)40(47(71)58-33)62-43(67)31-13-14-37(65)55-31)18-32(28)56-41(29)63-21-27(54-22-63)19-35(49(73)74)60-42(66)30(9-7-15-53-50(51)52)57-45(69)36-10-8-16-64(36)48(34)72/h11-12,18,21-25,30-31,33-36,38-40,56H,7-10,13-17,19-20H2,1-6H3,(H,55,65)(H,57,69)(H,58,71)(H,59,70)(H,60,66)(H,61,68)(H,62,67)(H,73,74)(H4,51,52,53)/t30-,31-,33-,34-,35-,36-,38+,39-,40-/m0/s1
InChIKey: ZIUCJBZUJCNMSJ-WYHXJWKRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Celosia argentea | Celosia | Amaranthaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1027.1979999999994
TPSA？: 381.25000000000006
MolLogP？: 5.31587000000001
Number of H-Donors: 12
Number of H-Acceptors: 12
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|