ALTERNATIVE DEFINITION for [NELIPEPIMUT-S]

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C50H78N10O11
Molecular Weight	995.2147
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALTERNATIVE DEFINITION for [NELIPEPIMUT-S]

Structure Search

SMILES

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI

InChIKey=AHOKKYCUWBLDST-QYULHYBRSA-N

InChI=1S/C50H78N10O11/c1-8-31(6)42(60-44(64)35(52)21-15-16-22-51)49(69)58-37(25-33-17-11-9-12-18-33)45(65)53-27-41(62)55-40(28-61)48(68)57-36(23-29(2)3)46(66)54-32(7)43(63)56-38(26-34-19-13-10-14-20-34)47(67)59-39(50(70)71)24-30(4)5/h9-14,17-20,29-32,35-40,42,61H,8,15-16,21-28,51-52H2,1-7H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,68)(H,58,69)(H,59,67)(H,60,64)(H,70,71)/t31-,32-,35-,36-,37-,38-,39-,40-,42-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C50H78N10O11
Molecular Weight	995.2147
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:20:02 GMT 2025` Edited by `admin` on `Wed Apr 02 09:20:02 GMT 2025`
Record UNII	7M0A29CD8B
Record Status	`alternative`
Record Version

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					7M0A29CD8B

NELIPEPIMUT-S

Related Record Type Details


					7M0A29CD8B

NELIPEPIMUT-S

Primary Definition