Hypertrehalosemichormone
[CAS# 129612-52-8]

Identification

• Name: Hypertrehalosemichormone
• Synonyms: (2S)-N-[(1S)-2-Amino-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-4-Methyl-2-[[(2S)-5-Oxopyrrolidine-2-Carbonyl]Amino]Pentanoyl]Amino]-4-Oxo-Butanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Hydroxy-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]Butanediamide; (2S)-N-[(1S)-2-Amino-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-4-Methyl-1-Oxo-2-[[Oxo-[(2S)-5-Oxo-2-Pyrrolidinyl]Methyl]Amino]Pentyl]Amino]-1,4-Dioxobutyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-Hydroxy-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]Butanediamide; (2S)-N-[(1S)-2-Amino-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-4-Amino-4-Keto-2-[[(2S)-4-Methyl-2-(Pyroglutamoylamino)Pentanoyl]Amino]Butanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Hydroxy-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]Succinamide
• Molecular Formula: C₄₇H₆₂N₁₂O₁₂
• Molecular Weight: 987.08
• CAS Registry Number: 129612-52-8
• SMILES: [C@@H]3(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)CC1)CC(C)C)CC(=O)N)CC2=CC=CC=C2)CO)CCC3)C(=O)N[C@H](C(=O)N[C@@H](CC4=C[NH]C5=C4C=CC=C5)C(=O)N)CC(=O)N
• InChI: 1S/C47H62N12O12/c1-24(2)17-31(54-41(65)29-14-15-39(63)52-29)42(66)56-33(20-37(48)61)45(69)55-32(18-25-9-4-3-5-10-25)43(67)58-35(23-60)47(71)59-16-8-13-36(59)46(70)57-34(21-38(49)62)44(68)53-30(40(50)64)19-26-22-51-28-12-7-6-11-27(26)28/h3-7,9-12,22,24,29-36,51,60H,8,13-21,23H2,1-2H3,(H2,48,61)(H2,49,62)(H2,50,64)(H,52,63)(H,53,68)(H,54,65)(H,55,69)(H,56,66)(H,57,70)(H,58,67)/t29-,30-,31-,32-,33-,34-,35-,36-/m0/s1
• InChIKey: RSRUMIVKQHSEGP-VTGDPKQBSA-N

Properties

• Density: 1.375g/cm³ (Cal.)
• Boiling point: 1595.553°C at 760 mmHg (Cal.)
• Flash point: 918.757°C (Cal.)