L-PROLINAMIDE, (4R)-1-(10,12-DIMETHYL-1-OXOTETRADECYL)-4,5-DIHYDROXY-D-PROLYL-L-THREONYL-(4R)-4-HYDROXY-L-PROLYL-(4S)-4-HYDROXY-4-(4-HYDROXYPHENYL)-L-THREONYL-(3R)-3-HYDROXY-L-ORNITHYL-3-HYDROXY-, (3S)-

Details

Stereochemistry	UNKNOWN
Molecular Formula	C50H82N8O16
Molecular Weight	1051.2301
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 16
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of L-PROLINAMIDE, (4R)-1-(10,12-DIMETHYL-1-OXOTETRADECYL)-4,5-DIHYDROXY-D-PROLYL-L-THREONYL-(4R)-4-HYDROXY-L-PROLYL-(4S)-4-HYDROXY-4-(4-HYDROXYPHENYL)-L-THREONYL-(3R)-3-HYDROXY-L-ORNITHYL-3-HYDROXY-, (3S)-

Structure Search

SMILES

[H][C@](NC(=O)[C@@H]1C[C@@H](O)C(O)N1C(=O)CCCCCCCC[C@@H](C)C[C@@H](C)CC)([C@@H](C)O)C(=O)N2C[C@H](O)C[C@@]2([H])C(=O)N[C@@]([H])([C@H](O)[C@@H](O)C3=CC=C(O)C=C3)C(=O)N[C@@]([H])([C@H](O)CCN)C(=O)N4CC[C@H](O)[C@@]4([H])C(N)=O

InChI

InChIKey=UWUIBWNWWAICHW-YORXCANGSA-N

InChI=1S/C50H82N8O16/c1-5-26(2)22-27(3)12-10-8-6-7-9-11-13-37(65)58-33(24-36(64)48(58)72)46(70)53-38(28(4)59)49(73)57-25-31(61)23-32(57)45(69)55-40(43(67)42(66)29-14-16-30(60)17-15-29)47(71)54-39(34(62)18-20-51)50(74)56-21-19-35(63)41(56)44(52)68/h14-17,26-28,31-36,38-43,48,59-64,66-67,72H,5-13,18-25,51H2,1-4H3,(H2,52,68)(H,53,70)(H,54,71)(H,55,69)/t26-,27+,28+,31+,32-,33-,34+,35-,36+,38-,39-,40-,41-,42-,43-,48?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C50H82N8O16
Molecular Weight	1051.2301
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	15 / 16
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:53:37 GMT 2023` Edited by `admin` on `Sat Dec 16 10:53:37 GMT 2023`
Record UNII	CA7LF5HCB2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

L-PROLINAMIDE, (4R)-1-(10,12-DIMETHYL-1-OXOTETRADECYL)-4,5-DIHYDROXY-D-PROLYL-L-THREONYL-(4R)-4-HYDROXY-L-PROLYL-(4S)-4-HYDROXY-4-(4-HYDROXYPHENYL)-L-THREONYL-(3R)-3-HYDROXY-L-ORNITHYL-3-HYDROXY-, (3S)-

Systematic Name

English

CASPOFUNGIN (M0)

Common Name

English

Code System Code Type Description

FDA UNII

CA7LF5HCB2

Created by admin on Sat Dec 16 10:53:37 GMT 2023 , Edited by admin on Sat Dec 16 10:53:37 GMT 2023

PRIMARY

PUBCHEM

156028143

Created by admin on Sat Dec 16 10:53:37 GMT 2023 , Edited by admin on Sat Dec 16 10:53:37 GMT 2023

PRIMARY

CAS

314080-31-4

Created by admin on Sat Dec 16 10:53:37 GMT 2023 , Edited by admin on Sat Dec 16 10:53:37 GMT 2023

PRIMARY

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CASPOFUNGIN

PARENT -> METABOLITE

Comments:

Major in plasma

Interaction Type:

MAJOR

Qualification:

PLASMA; URINE

Amount: