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(2S,3S)-3-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2R)-4-amino-2-[(2R)-2-[(2S)-2-{[(1S)-5-(3-carbamoylpropanamido)-8,9-dihydroxy-1H,2H,3H-pyrimido[1,2-a]quinolin-1-yl]formamido}-3-carboxypropanamido]-5-[(3R)-N,3-dihydroxybutanamido]pentanamido]butanamido]-3-hydrox

AlkaPlorer ID: AK068186

Synonym: None

IUPAC Name: (2S,3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2R)-4-amino-2-[[(2R)-2-[[(2S)-2-[[(1S)-5-[(4-amino-4-oxobutanoyl)amino]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinoline-1-carbonyl]amino]-3-carboxypropanoyl]amino]-5-[hydroxy-[(3R)-3-hydroxybutanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-2-hydroxy-4-oxobutanoic acid

Structure

SMILES: C[C@@H](O)CC(=O)N(O)CCC[C@@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@@H]1CCN=C2C(N=C(O)CCC(=N)O)=CC3=CC(O)=C(O)C=C3N21)C(O)=N[C@H](CCN)C(O)=N[C@H](C(O)=NCC(O)=N[C@@H](CO)C(O)=N[C@@H](CO)C(O)=N[C@H](C(O)=N[C@H](C(=O)O)[C@@H](C)O)[C@H](O)C(=O)O)[C@@H](C)O

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InChI: InChI=1S/C54H79N15O27/c1-21(72)13-38(80)68(96)12-4-5-25(61-47(86)28(16-39(81)82)63-50(89)31-9-11-57-44-27(59-36(78)7-6-35(56)77)14-24-15-33(75)34(76)17-32(24)69(31)44)45(84)62-26(8-10-55)46(85)65-40(22(2)73)51(90)58-18-37(79)60-29(19-70)48(87)64-30(20-71)49(88)67-42(43(83)54(94)95)52(91)66-41(23(3)74)53(92)93/h14-15,17,21-23,25-26,28-31,40-43,70-76,83,96H,4-13,16,18-20,55H2,1-3H3,(H2,56,77)(H,58,90)(H,59,78)(H,60,79)(H,61,86)(H,62,84)(H,63,89)(H,64,87)(H,65,85)(H,66,91)(H,67,88)(H,81,82)(H,92,93)(H,94,95)/t21-,22-,23-,25-,26-,28+,29+,30+,31+,40+,41+,42+,43+/m1/s1

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InChIKey: HGPJLFOSUCTEJB-YNQHPEIESA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Pseudomonas putida Pseudomonas Pseudomonadaceae Pseudomonadales Gammaproteobacteria Pseudomonadota None Bacteria

Properties Information

Molecule Weight: 1370.3040000000003

TPSA？: 725.8800000000003

MolLogP？: -1.872530000000003

Number of H-Donors: 25

Number of H-Acceptors: 27

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information