Alterochromides; Alterochromide A, 3''-Bromo

AlkaPlorer ID: AK284055

Synonym: Bromoalterochromide A

IUPAC Name: (2E,4E,6E,8E)-N-[6-(2-aminoacetyl)-9-(2-amino-2-oxoethyl)-3-butan-2-yl-16-methyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-(3-bromo-4-hydroxyphenyl)nona-2,4,6,8-tetraenamide

Structure

SMILES: CCC(C)C1NC(=O)C(C(=O)CN)NC(=O)C(CC(N)=O)NC(=O)C(C(C)C)NC(=O)C(NC(=O)/C=C/C=C/C=C/C=C/C2=CC(Br)=C(O)C=C2)C(C)OC1=O

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InChI: InChI=1S/C38H50BrN7O10/c1-6-21(4)31-38(55)56-22(5)32(43-29(50)14-12-10-8-7-9-11-13-23-15-16-26(47)24(39)17-23)36(53)44-30(20(2)3)35(52)42-25(18-28(41)49)34(51)46-33(27(48)19-40)37(54)45-31/h7-17,20-22,25,30-33,47H,6,18-19,40H2,1-5H3,(H2,41,49)(H,42,52)(H,43,50)(H,44,53)(H,45,54)(H,46,51)/b9-7+,10-8+,13-11+,14-12+

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InChIKey: CSMDNILFJNHULH-NOEJSRFCSA-N

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Reference

PubChem CID: 152772087

CAS: 909793-25-5

Properties Information

Molecule Weight: 844.7610000000002

TPSA: 278.21

MolLogP: 0.3111000000000042

Number of H-Donors: 8

Number of H-Acceptors: 11

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information