Quinomycin A; 7-S-Oxide
AlkaPlorer ID: AK312184
Synonym: Antibiotic FD 991, FD 991
IUPAC Name: N-[2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26,28-nonaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28lambda4-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide
Structure
SMILES: CSC1C2C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)C3=NC4=C(C=CC=C4)N=C3)C(=O)NC(C)C(=O)N(C)C(CS1=O)C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)C1=NC3=C(C=CC=C3)N=C1)C(=O)NC(C)C(=O)N2C
InChI: InChI=1S/C51H64N12O13S2/c1-25(2)38-49(72)75-22-36(59-42(65)34-21-53-30-17-13-15-19-32(30)57-34)44(67)55-28(6)46(69)63(10)40-48(71)62(9)39(26(3)4)50(73)76-23-35(58-41(64)33-20-52-29-16-12-14-18-31(29)56-33)43(66)54-27(5)45(68)60(7)37(47(70)61(38)8)24-78(74)51(40)77-11/h12-21,25-28,35-40,51H,22-24H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)
InChIKey: PGTMCLHRBMVVPB-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 1117.2779999999996
TPSA？: 318.86999999999995
MolLogP？: -0.3491999999999899
Number of H-Donors: 4
Number of H-Acceptors: 18
RingCount: 6
Activities Information
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