3-Amino-N-[1-[4-[(E)-3-[[(2S)-1-[[(4S)-4-Amino-5-[(2S)-2-[(2S)-2-Aminopentanoyl]-2-Formyl-3-(2-Hydroxy-3-Methylpentanoyl)-3H-Pyrrol-1-Yl]-5-Oxopentyl]Amino]-3-(5-Hydroxy-1H-Indol-3-Yl)-1-Oxopropan-2-Yl]Amino]-3-Oxoprop-1-Enyl]-1,3-Oxazol-2-Yl]Ethyl]-5-Methyl-2-Oxohexanamide
[CAS# 155547-93-6]

Identification

• Name: 3-Amino-N-[1-[4-[(E)-3-[[(2S)-1-[[(4S)-4-Amino-5-[(2S)-2-[(2S)-2-Aminopentanoyl]-2-Formyl-3-(2-Hydroxy-3-Methylpentanoyl)-3H-Pyrrol-1-Yl]-5-Oxopentyl]Amino]-3-(5-Hydroxy-1H-Indol-3-Yl)-1-Oxopropan-2-Yl]Amino]-3-Oxoprop-1-Enyl]-1,3-Oxazol-2-Yl]Ethyl]-5-Methyl-2-Oxohexanamide
• Synonyms: 3-Amino-N-[1-[4-[(E)-3-[[(1S)-2-[[(4S)-4-Amino-5-[(2S)-2-[(2S)-2-Aminopentanoyl]-2-Formyl-3-(2-Hydroxy-3-Methyl-Pentanoyl)-3H-Pyrrol-1-Yl]-5-Oxo-Pentyl]Amino]-1-[(5-Hydroxy-1H-Indol-3-Yl)Methyl]-2-Oxo-Ethyl]Amino]-3-Oxo-Prop-1-Enyl]Oxazol-2-Yl]Ethyl]-5-Methyl-2-Oxo-Hexanamide; 3-Amino-N-[1-[4-[(E)-3-[[(1S)-2-[[(4S)-4-Amino-5-[(2S)-2-[(2S)-2-Amino-1-Oxopentyl]-2-Formyl-3-(2-Hydroxy-3-Methyl-1-Oxopentyl)-3H-Pyrrol-1-Yl]-5-Oxopentyl]Amino]-1-[(5-Hydroxy-1H-Indol-3-Yl)Methyl]-2-Oxoethyl]Amino]-3-Oxoprop-1-Enyl]-2-Oxazolyl]Ethyl]-5-Methyl-2-Oxohexanamide; 3-Amino-N-[1-[4-[(E)-3-[[(1S)-2-[[(4S)-4-Amino-5-[(2S)-2-[(2S)-2-Aminopentanoyl]-2-Formyl-3-(2-Hydroxy-3-Methyl-Pentanoyl)-2-Pyrrolin-1-Yl]-5-Keto-Pentyl]Amino]-1-[(5-Hydroxy-1H-Indol-3-Yl)Methyl]-2-Keto-Ethyl]Amino]-3-Keto-Prop-1-Enyl]Oxazol-2-Yl]Ethyl]-2-Keto-5-Methyl-Hexanamide
• Molecular Formula: C₄₇H₆₅N₉O₁₁
• Molecular Weight: 932.08
• CAS Registry Number: 155547-93-6
• SMILES: [C@@]1(C=O)(N(C=CC1C(C(C(CC)C)O)=O)C([C@@H](N)CCCNC([C@@H](NC(\C=C\C2=COC(=N2)C(C)NC(C(C(CC(C)C)N)=O)=O)=O)CC3=C[NH]C4=CC=C(C=C34)O)=O)=O)C([C@@H](N)CCC)=O
• InChI: 1S/C47H65N9O11/c1-7-10-33(48)42(63)47(24-57)32(40(61)39(60)26(5)8-2)16-18-56(47)46(66)34(49)11-9-17-51-43(64)37(20-28-22-52-36-14-13-30(58)21-31(28)36)55-38(59)15-12-29-23-67-45(54-29)27(6)53-44(65)41(62)35(50)19-25(3)4/h12-16,18,21-27,32-35,37,39,52,58,60H,7-11,17,19-20,48-50H2,1-6H3,(H,51,64)(H,53,65)(H,55,59)/b15-12+/t26?,27?,32?,33-,34-,35?,37-,39?,47+/m0/s1
• InChIKey: IKIDULYSIBTEOW-JOHKBFABSA-N

Properties

• Density: 1.311g/cm³ (Cal.)