ALTERNATIVE DEFINITION for [ANGIOTENSIN III ACETATE]

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C46H66N12O9.C2H4O2
Molecular Weight	991.1432
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALTERNATIVE DEFINITION for [ANGIOTENSIN III ACETATE]

Structure Search

SMILES

CC(O)=O.[H][C@](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)([C@@H](C)CC)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(O)=O

InChI

InChIKey=DNYUGSNUNZSLJA-BZDVFTEGSA-N

InChI=1S/C46H66N12O9.C2H4O2/c1-5-27(4)38(57-40(61)33(21-29-15-17-31(59)18-16-29)53-42(63)37(26(2)3)56-39(60)32(47)13-9-19-51-46(48)49)43(64)54-34(23-30-24-50-25-52-30)44(65)58-20-10-14-36(58)41(62)55-35(45(66)67)22-28-11-7-6-8-12-28;1-2(3)4/h6-8,11-12,15-18,24-27,32-38,59H,5,9-10,13-14,19-23,47H2,1-4H3,(H,50,52)(H,53,63)(H,54,64)(H,55,62)(H,56,60)(H,57,61)(H,66,67)(H4,48,49,51);1H3,(H,3,4)/t27-,32-,33-,34-,35-,36-,37-,38-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C46H66N12O9
Molecular Weight	931.0912
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:04:46 GMT 2023` Edited by `admin` on `Sat Dec 16 15:04:46 GMT 2023`
Record UNII	2AY78S427U
Record Status	`alternative`
Record Version

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					2AY78S427U

ANGIOTENSIN III ACETATE

Related Record Type Details


					2AY78S427U

ANGIOTENSIN III ACETATE

Primary Definition