Pseudovibriamide B4
AlkaPlorer ID: AK328324
Synonym: None
IUPAC Name: (2S)-2-[[(Z)-1-[[2-[[(2S)-1-[(2S)-2-[4-[[(2S)-5-amino-1-[1-[1-[(2S)-2-amino-3-methylbutanoyl]-3-propanoyloxypyrrolidin-2-yl]-2-carboxyethoxy]-1,5-dioxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxobut-2-en-2-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
Structure
SMILES: C/C=C(\NC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C1=NC(C(=O)N[C@@H](CCC(N)=O)C(=O)OC(CC(=O)O)C2C(OC(=O)CC)CCN2C(=O)[C@@H](N)C(C)C)=CS1
InChI: InChI=1S/C50H71N13O16S/c1-5-28(60-50(77)61-31(47(74)75)21-26-11-13-27(64)14-12-26)42(70)56-23-37(66)57-29(9-7-18-55-49(53)54)45(72)62-19-8-10-33(62)44-59-32(24-80-44)43(71)58-30(15-16-36(51)65)48(76)79-35(22-38(67)68)41-34(78-39(69)6-2)17-20-63(41)46(73)40(52)25(3)4/h5,11-14,24-25,29-31,33-35,40-41,64H,6-10,15-23,52H2,1-4H3,(H2,51,65)(H,56,70)(H,57,66)(H,58,71)(H,67,68)(H,74,75)(H4,53,54,55)(H2,60,61,77)/b28-5-/t29-,30-,31-,33-,34?,35?,40-,41?/m0/s1
InChIKey: VUSVMOUTFWGYSU-LNFOJLHHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Pseudovibrio | Stappiaceae | Hyphomicrobiales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1142.2599999999993
TPSA？: 462.88
MolLogP？: -1.2779000000000047
Number of H-Donors: 12
Number of H-Acceptors: 18
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|