N-methylsansalvamide

AlkaPlorer ID: AK026660

Synonym: None

IUPAC Name: (3S,6S,9S,12S,15S)-6-benzyl-10-methyl-3,9,15-tris(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclopentadecane-2,5,8,11,14-pentone

Structure

SMILES: CC(C)C[C@@H]1N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N=C(O)[C@H](CC(C)C)OC1=O

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InChI: InChI=1S/C33H52N4O6/c1-19(2)15-25-33(42)43-27(17-21(5)6)31(40)36-28(22(7)8)32(41)37(9)26(16-20(3)4)30(39)34-24(29(38)35-25)18-23-13-11-10-12-14-23/h10-14,19-22,24-28H,15-18H2,1-9H3,(H,34,39)(H,35,38)(H,36,40)/t24-,25-,26-,27-,28-/m0/s1

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InChIKey: YMJKISFVUDJIHL-XLIKFSOKSA-N

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Properties Information

Molecule Weight: 600.8010000000003

TPSA: 144.38000000000002

MolLogP: 5.751100000000006

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information