Upleganan

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H82ClN15O12
Molecular Weight	1144.754
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCN)NC(=O)[C@H](CCNC1=O)NC(=O)[C@H](CN)NC(=O)[C@@H](NC(=O)C[C@H](CN)C3=CC(Cl)=CC=C3)[C@@H](C)O)[C@@H](C)O

InChI

InChIKey=VAZVBVUQVUHPMS-DFEDBOKMSA-N

InChI=1S/C52H82ClN15O12/c1-27(2)21-38-48(76)62-34(13-17-54)44(72)61-36(15-19-56)47(75)68-42(28(3)69)51(79)59-20-16-37(46(74)60-35(14-18-55)45(73)65-39(49(77)64-38)22-30-9-6-5-7-10-30)63-50(78)40(26-58)66-52(80)43(29(4)70)67-41(71)24-32(25-57)31-11-8-12-33(53)23-31/h5-12,23,27-29,32,34-40,42-43,69-70H,13-22,24-26,54-58H2,1-4H3,(H,59,79)(H,60,74)(H,61,72)(H,62,76)(H,63,78)(H,64,77)(H,65,73)(H,66,80)(H,67,71)(H,68,75)/t28-,29-,32-,34+,35+,36+,37+,38+,39-,40+,42+,43+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C52H82ClN15O12
Molecular Weight	1144.754
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 19:47:40 GMT 2023` Edited by `admin` on `Sat Dec 16 19:47:40 GMT 2023`
Record UNII	HL5KS3G9R2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Upleganan

Official Name

English

upleganan [INN]

Common Name

English

L-Threonine, N-[(3S)-4-amino-3-(3-chlorophenyl)-1-oxobutyl]-L-threonyl-3-amino-L-alanyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-phenylalanyl-L-leucyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-, (9→3)-lactam

Systematic Name

English

SPR-206

Code

English

SPR 206

Code

English

Code System Code Type Description

NCI_THESAURUS

C199124