Pevedotin acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C63H100N10O15
Molecular Weight	1237.5261
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCC2=CC=C(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCC(O)=O)C(C)C)C=C2)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)C3=CC=CC=C3

InChI

InChIKey=XKQGZQVGYMIHEK-GJIHENSZSA-N

InChI=1S/C63H100N10O15/c1-15-39(8)54(47(86-13)34-49(75)73-33-21-25-46(73)56(87-14)40(9)57(79)66-41(10)55(78)43-22-17-16-18-23-43)71(11)61(83)52(37(4)5)70-60(82)53(38(6)7)72(12)63(85)88-35-42-28-30-44(31-29-42)67-58(80)45(24-20-32-65-62(64)84)68-59(81)51(36(2)3)69-48(74)26-19-27-50(76)77/h16-18,22-23,28-31,36-41,45-47,51-56,78H,15,19-21,24-27,32-35H2,1-14H3,(H,66,79)(H,67,80)(H,68,81)(H,69,74)(H,70,82)(H,76,77)(H3,64,65,84)/t39-,40+,41+,45-,46-,47+,51-,52-,53-,54-,55+,56+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C63H100N10O15
Molecular Weight	1237.5261
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:10:01 GMT 2023` Edited by `admin` on `Sat Dec 16 20:10:01 GMT 2023`
Record UNII	H25V5C4RD8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pevedotin acid

Common Name

English

N-[[[4-[[N-(4-Carboxy-1-oxobutyl)-L-valyl-N5-(aminocarbonyl)-L-ornithyl]amino]phenyl]methoxy]carbonyl]-N-methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-me

Systematic Name

English

5-{[(2S)-1-{[(2S)-1-{4-[(5S,8S,11S,12R)-11-[(2S)-butan-2-yl]-12-(2-{(2S)-2-[(1R,2R)-3-{[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-2-oxoethyl)-4,10-dimethyl-3,6,9-trioxo-5,8-di(propan-2-yl)-2,13-dioxa-4,7

Systematic Name

English

L-Valinamide, N-[[[4-[[N-(4-carboxy-1-oxobutyl)-L-valyl-5-(aminocarbonyl)-L-ornithyl]amino]phenyl]methoxy]carbonyl]-N-methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrro

Systematic Name

English

Code System Code Type Description

CAS

1895916-23-0

Created by admin on Sat Dec 16 20:10:01 GMT 2023 , Edited by admin on Sat Dec 16 20:10:01 GMT 2023

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PUBCHEM

132246296

Created by admin on Sat Dec 16 20:10:01 GMT 2023 , Edited by admin on Sat Dec 16 20:10:01 GMT 2023

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FDA UNII

H25V5C4RD8

Created by admin on Sat Dec 16 20:10:01 GMT 2023 , Edited by admin on Sat Dec 16 20:10:01 GMT 2023

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