N-{[(1S,2S,10R,12S,13S)-12,18-Dihydroxy-7,17-dimethoxy-6,16,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0^2,11.0^4,9.0^15,20]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}-L-alaninamide
[CAS# 87578-99-2]

Identification

• Name: N-{[(1S,2S,10R,12S,13S)-12,18-Dihydroxy-7,17-dimethoxy-6,16,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0^2,11.0^4,9.0^15,20]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}-L-alaninamide
• Synonyms: MFCD01939882; N-{[(1S,2S,10R,12S,13S)-12,18-Dihydroxy-7,17-dimethoxy-6,16,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0^2,11.0^4,9.0^15,20]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}-L-alaninamid; N-{[(1S,2S,10R,12S,13S)-12,18-Dihydroxy-7,17-dimethoxy-6,16,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0^2,11.0^4,9.0^15,20]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}-L-alaninamide
• Molecular Formula: C₂₈H₃₆N₄O₇
• Molecular Weight: 540.61
• CAS Registry Number: 87578-99-2
• SMILES: Cc1c2c(cc(c1OC)O)[C@H]3[C@@H]4CC5=C([C@@H](N4[C@H]([C@H](C2)N3C)O)CNC(=O)[C@H](C)N)C(=O)C(=C(C5=O)C)OC
• InChI: 1S/C28H36N4O7/c1-11-14-7-18-28(37)32-17(22(31(18)4)15(14)9-20(33)25(11)38-5)8-16-21(19(32)10-30-27(36)13(3)29)24(35)26(39-6)12(2)23(16)34/h9,13,17-19,22,28,33,37H,7-8,10,29H2,1-6H3,(H,30,36)/t13-,17-,18-,19-,22-,28-/m0/s1
• InChIKey: LTBGHQVRFRKHLN-RPZGIMLZSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 804.1±65.0°C at 760 mmHg (Cal.)
• Flash point: 440.1±34.3°C (Cal.)

Safety Data

• Safety Description: IRRITANT