N-nitroso-oritavancin-1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C86H96Cl3N11O27
Molecular Weight	1822.099
Optical Activity	UNSPECIFIED
Defined Stereocenters	22 / 22
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@@H](N(C)N=O)C(=O)N[C@@H]1[C@H](O)C2=CC(Cl)=C(OC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@H]5C[C@](C)(NCC6=CC=C(C=C6)C7=CC=C(Cl)C=C7)[C@@H](O)[C@H](C)O5)C8=CC(=C3)[C@@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H]9C%10=CC=C(O)C(=C%10)C%11=C(C=C(O)C=C%11O)[C@H](NC(=O)[C@@H](NC9=O)[C@H](O[C@H]%12C[C@](C)(N)[C@@H](O)[C@H](C)O%12)C%13=CC(Cl)=C(O8)C=C%13)C(O)=O)C=C2

InChI

InChIKey=LQNZBFIJXMJYHT-KXJLIKEWSA-N

InChI=1S/C86H96Cl3N11O27/c1-35(2)22-52(100(7)99-119)78(112)97-67-69(106)42-15-20-55(49(88)24-42)122-57-26-44-27-58(73(57)127-84-74(71(108)70(107)59(34-101)124-84)126-62-32-86(6,76(110)37(4)121-62)92-33-38-8-10-39(11-9-38)40-12-17-45(87)18-13-40)123-56-21-16-43(25-50(56)89)72(125-61-31-85(5,91)75(109)36(3)120-61)68-82(116)96-66(83(117)118)48-28-46(102)29-54(104)63(48)47-23-41(14-19-53(47)103)64(79(113)98-68)95-80(114)65(44)94-77(111)51(30-60(90)105)93-81(67)115/h8-21,23-29,35-37,51-52,59,61-62,64-72,74-76,84,92,101-104,106-110H,22,30-34,91H2,1-7H3,(H2,90,105)(H,93,115)(H,94,111)(H,95,114)(H,96,116)(H,97,112)(H,98,113)(H,117,118)/t36-,37-,51-,52+,59+,61-,62-,64+,65+,66-,67+,68-,69+,70+,71-,72+,74+,75-,76-,84-,85-,86-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C86H96Cl3N11O27
Molecular Weight	1822.099
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	22 / 22
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:49:44 GMT 2025` Edited by `admin` on `Wed Apr 02 18:49:44 GMT 2025`
Record UNII	DH2VET7WYZ
Record Status	`Validated (UNII)`
Record Version