PHLEOMYCIN D1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C55H86N20O21S2
Molecular Weight	1427.523
Optical Activity	UNSPECIFIED
Defined Stereocenters	20 / 20
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)C1=NC(=NC(N)=C1C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@]3([H])O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]3O)C4=CN=CN4)([C@@H](C)O)C(=O)NCCC5=N[C@H](CS5)C6=NC(=CS6)C(=O)NCCCCNC(N)=N

InChI

InChIKey=CWCMIVBLVUHDHK-ZSNHEYEWSA-N

InChI=1S/C55H86N20O21S2/c1-19-32(72-45(75-43(19)58)24(11-30(57)79)67-12-23(56)44(59)85)49(89)74-34(40(25-13-63-18-68-25)94-53-42(38(83)36(81)28(14-76)93-53)95-52-39(84)41(96-55(62)91)37(82)29(15-77)92-52)50(90)69-21(3)35(80)20(2)46(86)73-33(22(4)78)48(88)65-10-7-31-70-27(17-97-31)51-71-26(16-98-51)47(87)64-8-5-6-9-66-54(60)61/h13,16,18,20-24,27-29,33-42,52-53,67,76-78,80-84H,5-12,14-15,17,56H2,1-4H3,(H2,57,79)(H2,59,85)(H2,62,91)(H,63,68)(H,64,87)(H,65,88)(H,69,90)(H,73,86)(H,74,89)(H2,58,72,75)(H4,60,61,66)/t20-,21+,22+,23-,24-,27+,28-,29+,33-,34-,35-,36+,37+,38-,39-,40-,41-,42-,52+,53-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C55H86N20O21S2
Molecular Weight	1427.523
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 `Sat Dec 16 08:15:40 GMT 2023` Edited by `admin` on `Sat Dec 16 08:15:40 GMT 2023`
Record UNII	O0VC1NEK5M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHLEOMYCIN D1

Common Name

English

N1-(4-((AMINOIMINOMETHYL)AMINO)BUTYL)-7,8-DIHYDROBLEOMYCINAMIDE

Systematic Name

English

BLEOMYCINAMIDE, N1-(4-((AMINOIMINOMETHYL)AMINO)BUTYL)-7,8-DIHYDRO-

Systematic Name

English

PLM D1

Common Name

English

Code System Code Type Description

FDA UNII

O0VC1NEK5M