DOLASTATIN 15

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H68N6O9
Molecular Weight	837.0562
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(=O)N([C@H]1CC2=CC=CC=C2)C(=O)[C@@H](OC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C

InChI

InChIKey=LQKSHSFQQRCAFW-CCVNJFHASA-N

InChI=1S/C45H68N6O9/c1-26(2)36(46-40(53)37(27(3)4)47(9)10)42(55)48(11)38(28(5)6)43(56)49-22-16-20-31(49)41(54)50-23-17-21-32(50)45(58)60-39(29(7)8)44(57)51-33(34(59-12)25-35(51)52)24-30-18-14-13-15-19-30/h13-15,18-19,25-29,31-33,36-39H,16-17,20-24H2,1-12H3,(H,46,53)/t31-,32-,33-,36-,37-,38-,39-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C45H68N6O9
Molecular Weight	837.0562
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:37:59 GMT 2023` Edited by `admin` on `Sat Dec 16 12:37:59 GMT 2023`
Record UNII	J9ZKS885H5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DOLASTATIN 15

Common Name

English

NSC-617668

Code

English

L-PROLINE, N,N-DIMETHYL-L-VALYL-L-VALYL-N-METHYL-L-VALYL-L-PROLYL-, (1S)-1-(((2S)-2,5-DIHYDRO-3-METHOXY-5-OXO-2-(PHENYLMETHYL)-1H-PYRROL-1-YL)CARBONYL)-2-METHYLPROPYL ESTER

Systematic Name

English

DLS-15

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C67422