2-{2-[6-amino-2-(2-{2-[2-(2-{2-[2-(2-aminopropanamido)propanamido]-3-methylbutanamido}-3-carbamoylpropanamido)-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido}-5-carbamimidamidopentanamido)hexanamido]-3-hydroxypropanamido}propanoic acid
AlkaPlorer ID: AK325220
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoic acid
Structure
SMILES: CC(C)[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CC1=CN=CN1)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CO)C(O)=N[C@@H](C)C(=O)O
InChI: InChI=1S/C44H76N18O14/c1-20(2)33(62-35(67)22(4)54-34(66)21(3)46)42(74)60-29(16-32(48)65)40(72)59-28(15-24-17-51-19-53-24)39(71)58-27(11-12-31(47)64)38(70)57-26(10-8-14-52-44(49)50)36(68)56-25(9-6-7-13-45)37(69)61-30(18-63)41(73)55-23(5)43(75)76/h17,19-23,25-30,33,63H,6-16,18,45-46H2,1-5H3,(H2,47,64)(H2,48,65)(H,51,53)(H,54,66)(H,55,73)(H,56,68)(H,57,70)(H,58,71)(H,59,72)(H,60,74)(H,61,69)(H,62,67)(H,75,76)(H4,49,50,52)/t21-,22-,23-,25-,26-,27-,28-,29-,30-,33-/m0/s1
InChIKey: DCRCBWSYABKTBA-YWBCJJLJSA-N
Source
Properties Information
Molecule Weight: 1081.2039999999993
TPSA？: 581.6200000000001
MolLogP？: 1.6311099999999974
Number of H-Donors: 21
Number of H-Acceptors: 17
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|