SIOMYCIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C71H81N19O18S5
Molecular Weight	1648.844
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C\C=C1/NC(=O)[C@@H](NC(=O)C2=CSC(=N2)[C@@]34CCC(=N[C@@H]3C5=CSC(=N5)[C@@H](NC(=O)C6=CSC(=N6)[C@@H](NC(=O)[C@H]7CSC1=N7)[C@](C)(O)[C@@H](C)O)[C@@H](C)OC(=O)C8=CC([C@H](C)O)=C9C=C[C@@H](N[C@@H](C(C)C)C(=O)NC(=C)C(=O)NC(=C)C(=O)N[C@@H](C)C(=O)N4)[C@H](O)C9=N8)C%10=NC(=CS%10)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)[C@@H](C)O

InChI

InChIKey=AKFVOKPQHFBYCA-KJULAZMPSA-N

InChI=1S/C71H81N19O18S5/c1-14-37-64-83-44(22-109-64)61(103)89-52(70(13,107)34(12)93)67-85-43(23-112-67)59(101)88-48-33(11)108-68(106)40-19-36(31(9)91)35-15-16-38(50(94)49(35)79-40)78-46(25(2)3)62(104)77-29(7)56(98)74-27(5)55(97)75-30(8)57(99)90-71(69-86-45(24-113-69)60(102)87-47(32(10)92)63(105)81-37)18-17-39(80-51(71)41-20-111-66(48)82-41)65-84-42(21-110-65)58(100)76-28(6)54(96)73-26(4)53(72)95/h14-16,19-21,23-25,30-34,38,44,46-48,50-52,78,91-94,107H,4-7,17-18,22H2,1-3,8-13H3,(H2,72,95)(H,73,96)(H,74,98)(H,75,97)(H,76,100)(H,77,104)(H,81,105)(H,87,102)(H,88,101)(H,89,103)(H,90,99)/b37-14-/t30-,31-,32+,33+,34+,38+,44+,46-,47-,48-,50-,51+,52+,70+,71+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C71H81N19O18S5
Molecular Weight	1648.844
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 15
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:53:07 GMT 2025` Edited by `admin` on `Mon Mar 31 22:53:07 GMT 2025`
Record UNII	AJY431WN1J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SIOMYCIN A

Common Name

English

NSC-285116

Preferred Name

English

Code System Code Type Description

PUBCHEM

121225689

Created by admin on Mon Mar 31 22:53:07 GMT 2025 , Edited by admin on Mon Mar 31 22:53:07 GMT 2025

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NSC

285116

Created by admin on Mon Mar 31 22:53:07 GMT 2025 , Edited by admin on Mon Mar 31 22:53:07 GMT 2025

PRIMARY

FDA UNII

AJY431WN1J

Created by admin on Mon Mar 31 22:53:07 GMT 2025 , Edited by admin on Mon Mar 31 22:53:07 GMT 2025

PRIMARY

CAS

12656-09-6

Created by admin on Mon Mar 31 22:53:07 GMT 2025 , Edited by admin on Mon Mar 31 22:53:07 GMT 2025

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