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name Structure Reference Source Properties Activities Metabolism

(1S,7S,10S,19S,22S,25S,28S)-28-benzyl-25-[(2S)-butan-2-yl]-22-isopropyl-10-(2-methylpropyl)-3,9,12,15,21,24,27,30,33-nonaazatetracyclo[31.3.0.0³,⁷.0¹⁵,¹⁹]hexatriacontane-2,8,11,14,20,23,26,29,32-nonone

AlkaPlorer ID: AK027333

Synonym: None

IUPAC Name: (1S,7S,10S,19S,22S,25S,28S)-28-benzyl-25-[(2S)-butan-2-yl]-10-(2-methylpropyl)-22-propan-2-yl-3,9,12,15,21,24,27,30,33-nonazatetracyclo[31.3.0.03,7.015,19]hexatriacontane-2,8,11,14,20,23,26,29,32-nonone

Structure

SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CC2=CC=CC=C2)NC1=O

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InChI: InChI=1S/C45H67N9O9/c1-7-28(6)38-44(62)49-31(23-29-14-9-8-10-15-29)40(58)47-25-36(56)53-20-13-18-34(53)45(63)54-21-12-17-33(54)41(59)48-30(22-26(2)3)39(57)46-24-35(55)52-19-11-16-32(52)42(60)50-37(27(4)5)43(61)51-38/h8-10,14-15,26-28,30-34,37-38H,7,11-13,16-25H2,1-6H3,(H,46,57)(H,47,58)(H,48,59)(H,49,62)(H,50,60)(H,51,61)/t28-,30-,31-,32-,33-,34-,37-,38-/m0/s1

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InChIKey: VDBGJJJPTIZFHD-NRZGWQFVSA-N

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Properties Information

Molecule Weight: 878.0849999999997

TPSA？: 235.53

MolLogP？: 0.1355000000000062

Number of H-Donors: 6

Number of H-Acceptors: 9

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information