ALTERNATIVE DEFINITION for [ANGIOTENSIN I ACETATE]

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C62H89N17O14.2C2H4O2
Molecular Weight	1416.5795
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALTERNATIVE DEFINITION for [ANGIOTENSIN I ACETATE]

Structure Search

SMILES

CC(O)=O.CC(O)=O.[H][C@](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)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)N[C@@H](CC5=CNC=N5)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI

InChIKey=CKIFOTYDIFUKEP-TYQYNJATSA-N

InChI=1S/C62H89N17O14.2C2H4O2/c1-7-35(6)51(78-56(87)44(25-37-17-19-40(80)20-18-37)74-58(89)50(34(4)5)77-53(84)42(15-11-21-68-62(64)65)71-52(83)41(63)28-49(81)82)59(90)75-46(27-39-30-67-32-70-39)60(91)79-22-12-16-48(79)57(88)73-43(24-36-13-9-8-10-14-36)54(85)72-45(26-38-29-66-31-69-38)55(86)76-47(61(92)93)23-33(2)3;2*1-2(3)4/h8-10,13-14,17-20,29-35,41-48,50-51,80H,7,11-12,15-16,21-28,63H2,1-6H3,(H,66,69)(H,67,70)(H,71,83)(H,72,85)(H,73,88)(H,74,89)(H,75,90)(H,76,86)(H,77,84)(H,78,87)(H,81,82)(H,92,93)(H4,64,65,68);2*1H3,(H,3,4)/t35-,41-,42-,43-,44-,45-,46-,47-,48-,50-,51-;;/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	C62H89N17O14
Molecular Weight	1296.4756
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:04:57 GMT 2023` Edited by `admin` on `Sat Dec 16 14:04:57 GMT 2023`
Record UNII	A4M6Y4755P
Record Status	`alternative`
Record Version

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					A4M6Y4755P

ANGIOTENSIN I ACETATE

Related Record Type Details


					A4M6Y4755P

ANGIOTENSIN I ACETATE

Primary Definition