(3R,4S,7S)-7beta-[(1H-Indol-3-Yl)Methyl]-3alpha-Isopropyl-4alpha-[(S)-3-Methyl-2-(Methylamino)Butyrylamino]-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-10,12,14(1),15-Tetrene-5,8-Dione
[CAS# 18867-84-0]

Identification

• Name: (3R,4S,7S)-7beta-[(1H-Indol-3-Yl)Methyl]-3alpha-Isopropyl-4alpha-[(S)-3-Methyl-2-(Methylamino)Butyrylamino]-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-10,12,14(1),15-Tetrene-5,8-Dione
• Synonyms: (2S)-N-[(3S,4S,7S,10Z)-7-(1H-Indol-3-Ylmethyl)-3-Isopropyl-5,8-Dioxo-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),10,12(16),13-Tetraen-4-Yl]-3-Methyl-2-Methylamino-Butanamide; (2S)-N-[(3S,4S,7S,10Z)-7-(1H-Indol-3-Ylmethyl)-3-Isopropyl-5,8-Dioxo-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),10,12(16),13-Tetraen-4-Yl]-3-Methyl-2-Methylaminobutanamide; (2S)-N-[(3S,4S,7S,10Z)-7-(1H-Indol-3-Ylmethyl)-3-Isopropyl-5,8-Diketo-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),10,12(16),13-Tetraen-4-Yl]-3-Methyl-2-Methylamino-Butyramide
• Molecular Formula: C₃₁H₃₉N₅O₄
• Molecular Weight: 545.68
• CAS Registry Number: 18867-84-0
• SMILES: [C@H]2(OC1=CC=C(C=C1)\C=C/NC(=O)[C@@H](NC(=O)[C@H]2NC(=O)[C@@H](NC)C(C)C)CC3=C[NH]C4=CC=CC=C34)C(C)C
• InChI: 1S/C31H39N5O4/c1-18(2)26(32-5)30(38)36-27-28(19(3)4)40-22-12-10-20(11-13-22)14-15-33-29(37)25(35-31(27)39)16-21-17-34-24-9-7-6-8-23(21)24/h6-15,17-19,25-28,32,34H,16H2,1-5H3,(H,33,37)(H,35,39)(H,36,38)/b15-14-/t25-,26-,27-,28-/m0/s1
• InChIKey: SBDJWBSJRCPRDV-DAEFBSHISA-N

Properties

• Density: 1.231g/cm³ (Cal.)
• Boiling point: 860.042°C at 760 mmHg (Cal.)
• Flash point: 473.936°C (Cal.)