DOLASTATIN 10

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H68N6O6S
Molecular Weight	785.091
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
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)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC=CS3

InChI

InChIKey=OFDNQWIFNXBECV-VFSYNPLYSA-N

InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)/t28-,29+,31-,32-,33+,35-,36-,37-,38+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

DOLASTATIN 10

Common Name

English

DLS 10

Common Name

English

L-VALINAMIDE, N,N-DIMETHYL-L-VALYL-N-((1S,2R)-2-METHOXY-4-((2S)-2-((1R,2R)-1-METHOXY-2-METHYL-3-OXO-3-(((1S)-2-PHENYL-1-(2-THIAZOLYL)ETHYL)AMINO)PROPYL)-1-PYRROLIDINYL)-1-((1S)-1-METHYLPROPYL)-4-OXOBUTYL)-N-METHYL-

Common Name

English

NSC-376128

Code

English

N,N-DIMETHYL-VAL-N-(2-METHOXY-4-(2-(1-METHOXY-2-METHYL-3-OXO-3-((2-PHENYL-1-(2-THIAZOLYL)ETHYL)AMINO)PROPYL)-1-PYRROLIDINYL)-1-(1-METHYLPROPYL)-4-OXOBUTYL)-N-METHYL-VALINAMIDE (2S-(1(1R*(R*),2S*),2R*(1S*,2S*,3(R*))))

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1893