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name Structure Reference Source Properties Activities Metabolism

3-hydroxy-N-[(3S,4R,7S,20R,27R,28R,31S,44S)-27-(3-hydroxyquinoline-2-amido)-4,15,28,39-tetramethyl-2,6,13,16,19,26,30,37,40,43-decaoxo-1,5,12,15,18,25,29,36,39,42-decaazapentacyclo[42.4.0.0⁷,¹².0²⁰,²⁵.0³¹,³⁶]octatetracontan-3-yl]quinoline-2-carboxamide

AlkaPlorer ID: AK433122

Synonym: None

IUPAC Name: 3-hydroxy-N-[(3R,4S,7S,20S,27R,28S,31S,44R)-27-[(3-hydroxyquinoline-2-carbonyl)amino]-4,15,28,39-tetramethyl-2,6,13,16,19,26,30,37,40,43-decaoxo-1,5,12,15,18,25,29,36,39,42-decazapentacyclo[42.4.0.07,12.020,25.031,36]octatetracontan-3-yl]quinoline-2-carboxamide

Structure

SMILES: C[C@@H]1N=C(O)[C@@H]2CCCCN2C(=O)CN(C)C(=O)CN=C(O)[C@@H]2CCCCN2C(=O)[C@H](NC(=O)C2=NC3=CC=CC=C3C=C2O)[C@H](C)N=C(O)[C@@H]2CCCCN2C(=O)CN(C)C(=O)CN=C(O)[C@H]2CCCCN2C(=O)[C@@H]1NC(=O)C1=NC2=CC=CC=C2C=C1O

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InChI: InChI=1S/C62H78N14O14/c1-35-51(69-59(87)53-45(77)29-37-17-5-7-19-39(37)67-53)61(89)75-27-15-11-21-41(75)55(83)63-31-47(79)72(4)34-50(82)74-26-14-10-24-44(74)58(86)66-36(2)52(70-60(88)54-46(78)30-38-18-6-8-20-40(38)68-54)62(90)76-28-16-12-22-42(76)56(84)64-32-48(80)71(3)33-49(81)73-25-13-9-23-43(73)57(85)65-35/h5-8,17-20,29-30,35-36,41-44,51-52,77-78H,9-16,21-28,31-34H2,1-4H3,(H,63,83)(H,64,84)(H,65,85)(H,66,86)(H,69,87)(H,70,88)/t35-,36-,41-,42+,43-,44-,51+,52+/m0/s1

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InChIKey: KIPSHYPQCJYONU-WZMSAHAESA-N

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Properties Information

Molecule Weight: 1243.3899999999996

TPSA？: 376.66

MolLogP？: 3.149000000000014

Number of H-Donors: 8

Number of H-Acceptors: 16

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information