| SpectraBase Spectrum ID |
2HinEqeDtLx |
| Name |
21H-Biline, L-phenylalanine deriv. |
| CAS Registry Number |
100923-25-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C41H49N5O5 |
| InChI |
InChI=1S/C41H49N5O5/c1-9-28-26(6)39(49)45-33(28)20-31-25(5)29(16-17-37(47)44-35(40(50)51-10-2)18-27-14-12-11-13-15-27)34(43-31)19-30-23(3)24(4)32(42-30)21-36-41(7,8)22-38(48)46-36/h11-15,19-21,35,43H,9-10,16-18,22H2,1-8H3,(H,44,47)(H,45,49)(H,46,48)/b30-19-,33-20-,36-21-/t35-/m1/s1 |
| InChIKey |
AAMQPEMTARPGTA-YXXGCEHOSA-N |
| Molecular Weight |
691.873 g/mol |
| SMILES |
N1C(CC(\C1=C/C1=N\C(=C/c2c(CCC(N[C@@](C(=O)OCC)(Cc3ccccc3)[H])=O)c(C)c([nH]2)\C=C/2NC(C(=C2CC)C)=O)C(=C1C)C)(C)C)=O |
| SPLASH |
splash10-0006-0000009000-f5f97a639bdb59d0c98c |
| Source of Spectrum |
AH-116-1082-13 |
| Synonyms |
L-Phenylalanine, N-[3-(3-ethyl-1,17,18,19,22,24-hexahydro-2,7,12,13,17,17-hexamethyl-1,19-dioxo-21H-bilin-8-yl)-1-oxopropyl]-, ethyl ester
(4Z,9Z,15Z)-17-ethyl-1,19-dioxo-3,3,7,8,13,18-hexamethyl-1,2,3,19,23,24-hexahydro-21H-bilin-12-N-[(S)-phenylalaninethylester]-propionamide
Ethyl (2R)-2-[(3-{2-((Z)-{5-[(Z)-(3,3-dimethyl-5-oxo-2-pyrrolidinylidene)methyl]-3,4-dimethyl-2H-pyrrol-2-ylidene}methyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl}propanoyl)amino]-3-phenylpropanoate |
| Wiley ID |
1414714 |
