(αS,α′S)-α,α′-Diamino-5,5′-bis[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6′-dihydroxy[1,1′-biphenyl]-3,3′-dipropanoic acid

CAS Registry Number®

175889-19-7

CAS Name

(αS,α′S)-α,α′-Diamino-5,5′-bis[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6′-dihydroxy[1,1′-biphenyl]-3,3′-dipropanoic acid

Molecular Formula

C36H38N4O12

Molecular Mass

718.71

Cite this Page

(αS,α′S)-α,α′-Diamino-5,5′-bis[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6′-dihydroxy[1,1′-biphenyl]-3,3′-dipropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=175889-19-7 (retrieved 2024-12-23) (CAS RN: 175889-19-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H38N4O12/c37-25(33(43)44)11-17-1-5-21(6-2-17)51-29-15-19(13-27(39)35(47)48)9-23(31(29)41)24-10-20(14-28(40)36(49)50)16-30(32(24)42)52-22-7-3-18(4-8-22)12-26(38)34(45)46/h1-10,15-16,25-28,41-42H,11-14,37-40H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50)

InChIKey

InChIKey=AEABCQUPKOOFQW-UHFFFAOYSA-N

SMILES

OC1=C(C=C(CC(C(O)=O)N)C=C1OC2=CC=C(CC(C(O)=O)N)C=C2)C3=C(O)C(OC4=CC=C(CC(C(O)=O)N)C=C4)=CC(CC(C(O)=O)N)=C3

Canonical SMILES

O=C(O)C(N)CC1=CC=C(OC=2C=C(C=C(C2O)C=3C=C(C=C(OC4=CC=C(C=C4)CC(N)C(=O)O)C3O)CC(N)C(=O)O)CC(N)C(=O)O)C=C1

Other Names for this Substance

  • [1,1′-Biphenyl]-3,3′-dipropanoic acid, α,α′-diamino-5,5′-bis[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6′-dihydroxy-, (αS,α′S)-
  • [1,1′-Biphenyl]-3,3′-dipropanoic acid, α,α′-diamino-5,5′-bis[4-(2-amino-2-carboxyethyl)phenoxy]-6,6′-dihydroxy-, [αS-[αR*,α′R*,5(R*),5′(R*)]]-
  • (αS,α′S)-α,α′-Diamino-5,5′-bis[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6′-dihydroxy[1,1′-biphenyl]-3,3′-dipropanoic acid
  • Di-isodityrosine

CAS INSIGHTSTM
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