Monoaspartyl chlorine6

Catalog Number

ACM110230983

CAS

110230-98-3

Structure

Synonyms

(3-((1R,4R,5Z,9Z,10Z,14Z,16Z,19Z)-18-Carboxy-20-(Carboxymethyl)-13-Ethyl-3,7,12,17-Tetramethyl-8-Vinyl-1H,2H,3H,4H-Porphyrin-2-Yl)Propanoyl)-L-AsparticAcid

IUPAC Name

(2S)-2-[[2-[(2S,3S)-7-carboxy-3-(2-carboxyethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]acetyl]amino]butanedioicacid

Molecular Weight

711.76

Molecular Formula

C38H41N5O9

Canonical SMILES

CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)CCC(=O)O)C)C)C=C)C

InChI

InChI=1S/C38H41N5O9/c1-7-20-16(3)24-12-26-18(5)22(9-10-32(45)46)35(42-26)23(11-31(44)41-30(37(49)50)15-33(47)48)36-34(38(51)52)19(6)27(43-36)14-29-21(8-2)17(4)25(40-29)13-28(20)39-24/h7,12-14,18,22,30,39-40H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)/t18-,22-,30-/m0/s1

InChI Key

SIEXFRDYNDREBM-BRXYURPTSA-N

Boiling Point

1218.1 ± 65.0 °C

Purity

95%

Density

1.359 g/ml

• Catalog Number: ACM110230983
• CAS: 110230-98-3
• Synonyms: (3-((1R,4R,5Z,9Z,10Z,14Z,16Z,19Z)-18-Carboxy-20-(Carboxymethyl)-13-Ethyl-3,7,12,17-Tetramethyl-8-Vinyl-1H,2H,3H,4H-Porphyrin-2-Yl)Propanoyl)-L-AsparticAcid
• IUPAC Name: (2S)-2-[[2-[(2S,3S)-7-carboxy-3-(2-carboxyethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]acetyl]amino]butanedioicacid
• Molecular Weight: 711.76
• Molecular Formula: C38H41N5O9
• Canonical SMILES: CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)CCC(=O)O)C)C)C=C)C
• InChI: InChI=1S/C38H41N5O9/c1-7-20-16(3)24-12-26-18(5)22(9-10-32(45)46)35(42-26)23(11-31(44)41-30(37(49)50)15-33(47)48)36-34(38(51)52)19(6)27(43-36)14-29-21(8-2)17(4)25(40-29)13-28(20)39-24/h7,12-14,18,22,30,39-40H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)/t18-,22-,30-/m0/s1
• InChI Key: SIEXFRDYNDREBM-BRXYURPTSA-N
• Boiling Point: 1218.1 ± 65.0 °C
• Purity: 95%
• Density: 1.359 g/ml