CYSTEINYL-SULFONATED-DGN-549C

Details

Stereochemistry	MIXED
Molecular Formula	C63H70N10O17S2
Molecular Weight	1303.417
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CYSTEINYL-SULFONATED-DGN-549C

Structure Search

SMILES

COC1=CC2=C(NC([C@@H]3CC4=CC=CC=C4N3C2=O)S(O)(=O)=O)C=C1OCC5=CC(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCCCC(=O)NCCN6C(=O)CC(SC[C@H](N)C(O)=O)C6=O)=CC(COC7=C(OC)C=C8C(NC[C@@H]9CC%10=CC=CC=C%10N9C8=O)=C7)=C5

InChI

InChIKey=HUBDXLAQPUOLNZ-XODFGUIKSA-N

InChI=1S/C63H70N10O17S2/c1-33(67-55(75)16-10-9-15-54(74)65-17-18-71-56(76)28-53(62(71)81)91-32-43(64)63(82)83)57(77)68-34(2)58(78)69-39-20-35(30-89-51-26-44-41(24-49(51)87-3)60(79)72-40(29-66-44)22-37-11-5-7-13-46(37)72)19-36(21-39)31-90-52-27-45-42(25-50(52)88-4)61(80)73-47-14-8-6-12-38(47)23-48(73)59(70-45)92(84,85)86/h5-8,11-14,19-21,24-27,33-34,40,43,48,53,59,66,70H,9-10,15-18,22-23,28-32,64H2,1-4H3,(H,65,74)(H,67,75)(H,68,77)(H,69,78)(H,82,83)(H,84,85,86)/t33-,34-,40-,43-,48-,53?,59?/m0/s1

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