DIDEMNIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C57H89N7O15
Molecular Weight	1112.3545
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@H](CC3=CC=C(OC)C=C3)N(C)C(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C

InChI

InChIKey=KYHUYMLIVQFXRI-SJPGYWQQSA-N

InChI=1S/C57H89N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-36,39-44,46-47,49,65-66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,35-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1

HIDE SMILES / InChI

Approval Year

PubMed

Title	Date	PubMed
Evaluation of natural products as inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase.	1991-01-01	1710653
Inhibition of RNA viruses in vitro and in Rift Valley fever-infected mice by didemnins A and B.	1982-10	7188246

Patents

Name

Type

Language

NSC-325319

Preferred Name

English

DIDEMNIN B

Common Name

English

DIDEMNIN A, N-(1-((2S)-2-HYDROXY-1-OXOPROPYL)-L-PROLYL)-

Common Name

English

Didemnin B [WHO-DD]

Common Name

English

DIDEMNIN A, N-(1-(2-HYDROXY-1-OXOPROPYL)-L-PROLYL)-, (S)-

Common Name

English

(2S)-2-HYDROXYPROPANOYL-L-PROLYL-N-METHYL-D-LEUCYL-L-THREONYL-(3S,4R,5S)-4-AMINO-3-HYDROXY-5-METHYLHEPTANOYL-(2S,4S)-4-HYDROXY-2,5-DIMETHYL-3-OXOHEXANOYL-L-LEUCYL-L-PROLYL-N,O-DIMETHYL-L-TYROSINE (9->4)-LACTONE

Common Name

English

DIDEMNIN B [MI]

Common Name

English

NSC-333841

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C574