A1ACH
Nalpha-{(2S)-1-[(3S)-2-acetyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]piperidine-2-carbonyl}-5-fluoro-L-tryptophanamide
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as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
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Name | Nalpha-{(2S)-1-[(3S)-2-acetyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]piperidine-2-carbonyl}-5-fluoro-L-tryptophanamide |
Identifiers | (2~{S})-~{N}-[(2~{S})-1-azanyl-3-(5-fluoranyl-1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-[[(3~{S})-2-ethanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-3-yl]carbonyl]piperidine-2-carboxamide |
Formula | C31 H33 F N6 O4 |
Molecular Weight | 572.63 |
Type | NON-POLYMER |
Isomeric SMILES | CC(=O)N1Cc2c(c3ccccc3[nH]2)C[C@H]1C(=O)N4CCCC[C@H]4C(=O)N[C@@H](Cc5c[nH]c6c5cc(cc6)F)C(=O)N |
InChI | InChI=1S/C31H33FN6O4/c1-17(39)38-16-26-22(20-6-2-3-7-24(20)35-26)14-28(38)31(42)37-11-5-4-8-27(37)30(41)36-25(29(33)40)12-18-15-34-23-10-9-19(32)13-21(18)23/h2-3,6-7,9-10,13,15,25,27-28,34-35H,4-5,8,11-12,14,16H2,1H3,(H2,33,40)(H,36,41)/t25-,27-,28-/m0/s1 |
InChIKey | VWCVSCYVDCSUOY-MYKRZTLLSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 75 |
Chiral Atom Count | 3 |
Bond Count | 80 |
Aromatic Bond Count | 20 |