SULFOMYCIN I

Details

Stereochemistry	UNKNOWN
Molecular Formula	C54H52N16O16S2
Molecular Weight	1245.218
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 4
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1NC(=O)C2=C(C)OC(=N2)\C(NC(=O)[C@@H](NC(=O)C3=CSC(=N3)C4=CC=C(N=C4C5=COC(=N5)C(=C)NC(=O)C(=C)NC(=O)C6=C(C)OC(=N6)\C(NC(=O)C7=CSC1=N7)=C\C)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)[C@@H](C)O)=C\C(C)O

InChI

InChIKey=HLGFNEKJPGHMHW-DLHZHWJSSA-N

InChI=1S/C54H52N16O16S2/c1-12-29-50-68-36(26(9)85-50)47(81)59-23(6)42(76)60-24(7)49-64-32(16-84-49)38-28(13-14-30(61-38)43(77)58-22(5)41(75)57-21(4)40(74)56-20(3)39(55)73)53-65-34(17-87-53)45(79)67-35(25(8)72)46(80)63-31(15-19(2)71)51-69-37(27(10)86-51)48(82)70-52(83-11)54-66-33(18-88-54)44(78)62-29/h12-19,25,35,52,71-72H,3-7H2,1-2,8-11H3,(H2,55,73)(H,56,74)(H,57,75)(H,58,77)(H,59,81)(H,60,76)(H,62,78)(H,63,80)(H,67,79)(H,70,82)/b29-12-,31-15-/t19?,25-,35+,52?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C54H52N16O16S2
Molecular Weight	1245.218
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	2 / 4
E/Z Centers	4
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:40:52 GMT 2023` Edited by `admin` on `Sat Dec 16 09:40:52 GMT 2023`
Record UNII	832O1NQ7N9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SULFOMYCIN I

Common Name

English

Code System Code Type Description

PUBCHEM

90479578

Created by admin on Sat Dec 16 09:40:52 GMT 2023 , Edited by admin on Sat Dec 16 09:40:52 GMT 2023

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FDA UNII

832O1NQ7N9

Created by admin on Sat Dec 16 09:40:52 GMT 2023 , Edited by admin on Sat Dec 16 09:40:52 GMT 2023

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CAS

62339-99-5

Created by admin on Sat Dec 16 09:40:52 GMT 2023 , Edited by admin on Sat Dec 16 09:40:52 GMT 2023

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