Zorbamycin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C55H85N19O21S2
Molecular Weight	1412.508
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@](O[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O[C@@]2([H])O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]2O)([C@H](NC(=O)C3=C(C)C(N)=NC(=N3)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)C(=O)N[C@H](CCO)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCC4=N[C@]([H])(CS4)C5=NC(=CS5)C(=O)NCCC(N)=N)C(C)(C)O)C6=CNC=N6

InChI

InChIKey=UJKRUPHWCPAJIL-CPLCKGKLSA-N

InChI=1S/C55H85N19O21S2/c1-19-32(71-45(74-43(19)60)24(12-30(59)77)66-13-22(56)44(61)83)48(86)72-33(39(25-14-63-18-67-25)93-53-41(37(81)35(79)21(3)91-53)94-52-38(82)40(95-54(62)89)36(80)28(15-76)92-52)49(87)69-23(8-11-75)34(78)20(2)46(84)73-42(55(4,5)90)50(88)65-10-7-31-68-27(17-96-31)51-70-26(16-97-51)47(85)64-9-6-29(57)58/h14,16,18,20-24,27-28,33-42,52-53,66,75-76,78-82,90H,6-13,15,17,56H2,1-5H3,(H3,57,58)(H2,59,77)(H2,61,83)(H2,62,89)(H,63,67)(H,64,85)(H,65,88)(H,69,87)(H,72,86)(H,73,84)(H2,60,71,74)/t20-,21-,22-,23+,24-,27+,28+,33-,34-,35+,36+,37-,38-,39-,40-,41-,42+,52+,53-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C55H85N19O21S2
Molecular Weight	1412.508
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	19 / 19
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:06:45 UTC 2023` Edited by `admin` on `Sat Dec 16 08:06:45 UTC 2023`
Record UNII	IQZ99Q218Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Zorbamycin

Official Name

English

U-30604

Code

English

U-30,604

Code

English

ANTIBIOTIC DERIVED FROM STREPTOMYCES BIKINIENSIS VARIANT

Common Name

English

ZORBAMYCIN [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2311