PEPLOMYCIN SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C61H88N18O21S2.H2O4S
Molecular Weight	1571.668
Optical Activity	UNSPECIFIED
Defined Stereocenters	20 / 20
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.[H][C@]7(O[C@@H]1[C@H](O[C@H]([C@H](NC(=O)C2=NC(=NC(N)=C2C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC3=NC(=CS3)C4=NC(=CS4)C(=O)NCCCN[C@@H](C)C5=CC=CC=C5)C6=CN=CN6)O[C@@H](CO)[C@@H](O)[C@@H]1O)O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]7O

InChI

InChIKey=ZHHIHQFAUZZMTG-BSVJBJGJSA-N

InChI=1S/C61H88N18O21S2.H2O4S/c1-24-39(76-52(79-50(24)64)31(16-37(63)83)71-17-30(62)51(65)89)56(93)78-41(47(32-18-67-23-72-32)98-60-49(45(87)43(85)35(19-80)97-60)99-59-46(88)48(100-61(66)95)44(86)36(20-81)96-59)57(94)73-27(4)42(84)25(2)53(90)77-40(28(5)82)55(92)70-15-12-38-74-34(22-101-38)58-75-33(21-102-58)54(91)69-14-9-13-68-26(3)29-10-7-6-8-11-29;1-5(2,3)4/h6-8,10-11,18,21-23,25-28,30-31,35-36,40-49,59-60,68,71,80-82,84-88H,9,12-17,19-20,62H2,1-5H3,(H2,63,83)(H2,65,89)(H2,66,95)(H,67,72)(H,69,91)(H,70,92)(H,73,94)(H,77,90)(H,78,93)(H2,64,76,79);(H2,1,2,3,4)/t25-,26-,27+,28+,30-,31-,35-,36+,40-,41-,42-,43+,44+,45-,46-,47-,48-,49-,59+,60-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C61H88N18O21S2
Molecular Weight	1473.589
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	20 / 20
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:22:23 UTC 2023` Edited by `admin` on `Fri Dec 15 15:22:23 UTC 2023`
Record UNII	6A668951HW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PEPLOMYCIN SULFATE

Official Name

English

N1-[3-[[(S)-(α-Methylbenzyl)]amino]propyl]bleomycinamide sulfate (1:1) (salt)

Common Name

English

PEPLEO

Brand Name

English

PEPLOMYCIN SULFATE SALT [MI]

Common Name

English

Peplomycin sulfate [WHO-DD]

Common Name

English

NSC-276382

Code

English

PEPLOMYCIN SULFATE [USAN]

Common Name

English

PEPLOMYCIN SULFATE [JAN]

Common Name

English

NK-631

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C2311