PMX-205 ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H62N10O6.C2H4O2
Molecular Weight	899.0891
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)=O.NC(=N)NCCC[C@@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](CC4CCCCC4)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC1=O)NC(=O)CCC6=CC=CC=C6

InChI

InChIKey=VGEBCKZIZDXNOW-AZRFDLDXSA-N

InChI=1S/C45H62N10O6.C2H4O2/c46-45(47)49-24-9-18-34-40(57)48-23-10-19-35(51-39(56)22-21-29-12-3-1-4-13-29)44(61)55-25-11-20-38(55)43(60)54-36(26-30-14-5-2-6-15-30)41(58)53-37(42(59)52-34)27-31-28-50-33-17-8-7-16-32(31)33;1-2(3)4/h1,3-4,7-8,12-13,16-17,28,30,34-38,50H,2,5-6,9-11,14-15,18-27H2,(H,48,57)(H,51,56)(H,52,59)(H,53,58)(H,54,60)(H4,46,47,49);1H3,(H,3,4)/t34-,35-,36+,37-,38-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

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

Molecular Formula	C45H62N10O6
Molecular Weight	839.0372
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:39:08 GMT 2025` Edited by `admin` on `Tue Apr 01 20:39:08 GMT 2025`
Record UNII	7P258240O5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HYDROCINNAMATE-(ORN-PRO-DCHA-TRP-ARG)(CH3COO)

Preferred Name

English

PMX-205 ACETATE

Common Name

English

HYDROCINNAMATE-(ORN-PRO-DCHA-TRP-ARG)ACETATE

Common Name

English

L-ARGININE, N2-(1-OXO-3-PHENYLPROPYL)-L-ORNITHYL-L-PROLYL-3-CYCLOHEXYL-D-ALANYL-L-TRYPTOPHYL-, (5->1)-LACTAM ACETATE

Systematic Name

English

Classification Tree Code System Code

EU-Orphan Drug

EU/3/15/1527