[1,1′-Biphenyl]-3,3′-dipropanoic acid, α3,α3′-diamino-5-[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6′-dihydroxy-, (α3S,α3′S)-

CAS Registry Number®

126723-16-8

CAS Name

[1,1′-Biphenyl]-3,3′-dipropanoic acid, α3,α3′-diamino-5-[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6′-dihydroxy-, (α3S,α3′S)-

Molecular Formula

C27H29N3O9

Molecular Mass

539.53

Cite this Page

[1,1′-Biphenyl]-3,3′-dipropanoic acid, α3,α3′-diamino-5-[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6′-dihydroxy-, (α3S,α3′S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126723-16-8 (retrieved 2024-11-08) (CAS RN: 126723-16-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    170-172 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H29N3O9/c28-19(25(33)34)9-13-1-4-16(5-2-13)39-23-12-15(11-21(30)27(37)38)8-18(24(23)32)17-7-14(3-6-22(17)31)10-20(29)26(35)36/h1-8,12,19-21,31-32H,9-11,28-30H2,(H,33,34)(H,35,36)(H,37,38)/t19-,20-,21-/m0/s1

InChIKey

InChIKey=YLKSMWKXSSBSNR-ACRUOGEOSA-N

SMILES

OC1=C(C=C(C[C@@H](C(O)=O)N)C=C1OC2=CC=C(C[C@@H](C(O)=O)N)C=C2)C3=CC(C[C@@H](C(O)=O)N)=CC=C3O

Canonical SMILES

O=C(O)C(N)CC1=CC=C(OC=2C=C(C=C(C2O)C=3C=C(C=CC3O)CC(N)C(=O)O)CC(N)C(=O)O)C=C1

Other Names for this Substance

  • [1,1′-Biphenyl]-3,3′-dipropanoic acid, α3,α3′-diamino-5-[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6′-dihydroxy-, (α3S,α3′S)-
  • [1,1′-Biphenyl]-3,3′-dipropanoic acid, α,α′-diamino-5-[4-(2-amino-2-carboxyethyl)phenoxy]-6,6′-dihydroxy-, [3(S)-[3(R*),3′(R*),5(R*)]]-
  • [1,1′-Biphenyl]-3,3′-dipropanoic acid, α,α′-diamino-5-[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6′-dihydroxy-, (αS,α′S)-
  • Pulcherosine

CAS INSIGHTSTM
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