(2S)-N-[(3S,4S,7S,10Z)-7-[(2S)-Butan-2-Yl]-5,8-Dioxo-3-Propan-2-Yl-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),10,12(16),13-Tetraen-4-Yl]-2-Dimethylamino-3-(1H-Indol-3-Yl)Propanamide
[CAS# 36535-97-4]

Identification

• Name: (2S)-N-[(3S,4S,7S,10Z)-7-[(2S)-Butan-2-Yl]-5,8-Dioxo-3-Propan-2-Yl-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),10,12(16),13-Tetraen-4-Yl]-2-Dimethylamino-3-(1H-Indol-3-Yl)Propanamide
• Synonyms: Amphibine A; (2S)-2-Dimethylamino-3-(1H-Indol-3-Yl)-N-[(3S,4S,7S,10Z)-3-Isopropyl-5,8-Dioxo-7-Sec-Butyl-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),10,12(16),13-Tetraen-4-Yl]Propanamide; (2S)-2-Dimethylamino-3-(1H-Indol-3-Yl)-N-[(3S,4S,7S,10Z)-3-Isopropyl-5,8-Diketo-7-Sec-Butyl-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),10,12(16),13-Tetraen-4-Yl]Propionamide
• Molecular Formula: C₃₃H₄₃N₅O₄
• Molecular Weight: 573.73
• CAS Registry Number: 36535-97-4
• SMILES: [C@H]2(OC1=CC=C(C=C1)\C=C/NC(=O)[C@@H](NC(=O)[C@H]2NC(=O)[C@@H](N(C)C)CC3=C[NH]C4=CC=CC=C34)[C@H](CC)C)C(C)C
• InChI: 1S/C33H43N5O4/c1-7-21(4)28-32(40)34-17-16-22-12-14-24(15-13-22)42-30(20(2)3)29(33(41)36-28)37-31(39)27(38(5)6)18-23-19-35-26-11-9-8-10-25(23)26/h8-17,19-21,27-30,35H,7,18H2,1-6H3,(H,34,40)(H,36,41)(H,37,39)/b17-16-/t21-,27-,28-,29-,30-/m0/s1
• InChIKey: ZNUMAFXIQXNMMH-UZFRKIFNSA-N