(2S)-N-[(E,2S,4S,7S)-7-[[(2R)-2-Aminopropanoyl]Amino]-4-Formyl-5-(3-Hydroxy-4-Methoxyphenyl)-2-[[(Z)-3-(4-Methoxyphenyl)-2-Methylaminoprop-2-Enoyl]Amino]-3,6,10-Trioxodec-8-En-4-Yl]-3-(4-Hydroxyphenyl)-N-Methyl-2-Methylaminopropanamide
[CAS# 140679-94-3]

Identification

• Name: (2S)-N-[(E,2S,4S,7S)-7-[[(2R)-2-Aminopropanoyl]Amino]-4-Formyl-5-(3-Hydroxy-4-Methoxyphenyl)-2-[[(Z)-3-(4-Methoxyphenyl)-2-Methylaminoprop-2-Enoyl]Amino]-3,6,10-Trioxodec-8-En-4-Yl]-3-(4-Hydroxyphenyl)-N-Methyl-2-Methylaminopropanamide
• Synonyms: (2S)-N-[(E,1S,4S)-4-[[(2R)-2-Aminopropanoyl]Amino]-1-Formyl-2-(3-Hydroxy-4-Methoxy-Phenyl)-1-[(2S)-2-[[(Z)-3-(4-Methoxyphenyl)-2-Methylamino-Prop-2-Enoyl]Amino]Propanoyl]-3,7-Dioxo-Hept-5-Enyl]-3-(4-Hydroxyphenyl)-N-Methyl-2-Methylamino-Propanamide; (2S)-N-[(E,1S,4S)-4-[[(2R)-2-Amino-1-Oxopropyl]Amino]-1-Formyl-2-(3-Hydroxy-4-Methoxyphenyl)-1-[(2S)-2-[[(Z)-3-(4-Methoxyphenyl)-2-Methylamino-1-Oxoprop-2-Enyl]Amino]-1-Oxopropyl]-3,7-Dioxohept-5-Enyl]-3-(4-Hydroxyphenyl)-N-Methyl-2-Methylaminopropanamide; (2S)-N-[(E,1S,4S)-4-(Alanylamino)-1-Formyl-2-(3-Hydroxy-4-Methoxy-Phenyl)-3,7-Diketo-1-[(2S)-2-[[(Z)-3-(4-Methoxyphenyl)-2-Methylamino-Acryloyl]Amino]Propanoyl]Hept-5-Enyl]-3-(4-Hydroxyphenyl)-N-Methyl-2-Methylamino-Propionamide
• Molecular Formula: C₄₃H₅₂N₆O₁₁
• Molecular Weight: 828.92
• CAS Registry Number: 140679-94-3
• SMILES: [C@](N(C(=O)[C@@H](NC)CC1=CC=C(O)C=C1)C)(C(C2=CC(=C(OC)C=C2)O)C(=O)[C@@H](NC(=O)[C@H](N)C)\C=C\C=O)(C(=O)[C@@H](NC(=O)\C(NC)=C\C3=CC=C(OC)C=C3)C)C=O
• InChI: 1S/C43H52N6O11/c1-25(44)40(56)48-32(9-8-20-50)38(54)37(29-14-19-36(60-7)35(53)23-29)43(24-51,49(5)42(58)34(46-4)22-27-10-15-30(52)16-11-27)39(55)26(2)47-41(57)33(45-3)21-28-12-17-31(59-6)18-13-28/h8-21,23-26,32,34,37,45-46,52-53H,22,44H2,1-7H3,(H,47,57)(H,48,56)/b9-8+,33-21-/t25-,26+,32+,34+,37?,43-/m1/s1
• InChIKey: BNAKNBRLTYXQLE-VTENTOHYSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 1103.862°C at 760 mmHg (Cal.)
• Flash point: 621.393°C (Cal.)