LANCOVUTIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C89H125N23O25S3
Molecular Weight	2013.279
Optical Activity	UNSPECIFIED
Defined Stereocenters	20 / 20
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@@H]5CCCN5C(=O)CNC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@@H]7CNCCCC[C@H](NC(=O)[C@@H]8NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CSC[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CS[C@H]8C)C(=O)N[C@@H](CS[C@H]3C)C(=O)N7)NC1=O)[C@@H](O)C(O)=O)C(O)=O

InChI

InChIKey=SFWLDKQAUHFCBS-AOEYGKNYSA-N

InChI=1S/C89H125N23O25S3/c1-44(2)67-85(131)107-60-42-138-41-59-80(126)106-61-43-140-46(4)69(87(133)103-56(76(122)108-67)35-49-23-12-7-13-24-49)109-77(123)55(34-48-21-10-6-11-22-48)102-83(129)62-27-18-32-112(62)66(116)39-96-73(119)54(33-47-19-8-5-9-20-47)101-79(125)58(104-81(61)127)37-94-31-17-15-26-53(88(134)135)100-86(132)68(110-78(124)57(36-64(93)114)97-65(115)38-95-84(130)70(111-82(60)128)71(117)89(136)137)45(3)139-40-50(91)72(118)98-51(25-14-16-30-90)74(120)99-52(75(121)105-59)28-29-63(92)113/h5-13,19-24,44-46,50-62,67-71,94,117H,14-18,25-43,90-91H2,1-4H3,(H2,92,113)(H2,93,114)(H,95,130)(H,96,119)(H,97,115)(H,98,118)(H,99,120)(H,100,132)(H,101,125)(H,102,129)(H,103,133)(H,104,127)(H,105,121)(H,106,126)(H,107,131)(H,108,122)(H,109,123)(H,110,124)(H,111,128)(H,134,135)(H,136,137)/t45-,46-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59+,60-,61-,62-,67-,68+,69+,70-,71+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C89H125N23O25S3
Molecular Weight	2013.279
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 15:53:13 UTC 2023` Edited by `admin` on `Fri Dec 15 15:53:13 UTC 2023`
Record UNII	BPR0F3X56H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LANCOVUTIDE

Official Name

English

lancovutide [INN]

Common Name

English

Lancovutide [WHO-DD]

Common Name

English

MOLI1901

Code

English

ANCOVENIN, 2-L-LYSINE-6-(3-AMINOALANINE)-10-L-PHENYLALANINE-12-L-PHENYLALANINE-13-L-VALINE-15-(ERYTHRO-3-HYDROXY-L-ASPARTIC ACID)-, CYCLIC (6->19)-IMINE

Common Name

English

LEUCOPEPTIN

Common Name

English

L-LYSINE, L-CYSTEINYL-L-LYSYL-L-GLUTAMINYL-D-CYSTEINYL-L-CYSTEINYL-3-AMINOALANYL-L-PHENYLALANYLGLYCYL-L-PROLYL-L-PHENYLALANYL-(2S,3S)-2-AMINO-3-MERCAPTOBUTANOYL-L-PHENYLALANYL-L-VALYL-L-CYSTEINYL-(3R)-3-HYDROXY-L-.ALPHA.-ASPARTYLGLYCYL-L-ASPARAGINYL-(2S,

Systematic Name

English

DURAMYCIN

Common Name

English

MOLI-1901

Code

English

Classification Tree Code System Code

EU-Orphan Drug

EU/3/02/120