nchembio803-comp2
Molecular Formula:
C50H62N12O12S2
InChI: InChI=1/C50H62N12O12S2/c1-25(2)39-49(71)73-21-35(57-41(63)33-19-51-29-15-11-13-17-31(29)55-33)43(65)53-28(6)46(68)60(8)38-24-76-75-23-37(47(69)61(39)9)59(7)45(67)27(5)54-44(66)36(22-74-50(72)40(26(3)4)62(10)48(38)70)58-42(64)34-20-52-30-16-12-14-18-32(30)56-34/h11-20,25-28,35-40H,21-24H2,1-10H3,(H,53,65)(H,54,66)(H,57,63)(H,58,64)/t27-,28-,35+,36+,37-,38-,39-,40-/m0/s1/f/h53-54,57-58H
InChIKey: InChIKey=GULVULFEAVZHHC-XEEQRENVDK
SMILES: CC1C(=O)N(C2CSSCC(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)C
Names:
nchembio803-comp2
N-[(1S,4S,8R,11S,14S,17S,21R,24S)-3,11,13,16,24,26-hexamethyl-2,5,9,12,15,18,22,25-octaoxo-4,17-dipropan-2-yl-8-(quinoxaline-2-carbonylamino)-6,19-dioxa-28,29-dithia-3,10,13,16,23,26-hexazabicyclo[12.12.4]triacont-21-yl]quinoxaline-2-carboxamide
Registries:
PubChem CID 6857733
PubChem ID 11534318
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