2-[(3-{14,17-bis[3-(2-carboxy-N-hydroxyacetamido)propyl]-8-methyl-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl}propyl)(hydroxy)carbamoyl]acetic acid
AlkaPlorer ID: AK318861
Synonym: None
IUPAC Name: None
Structure
SMILES: C[C@H]1N=C(O)CN=C(O)[C@@H](CCCN(O)C(=O)CC(=O)O)N=C(O)[C@H](CCCN(O)C(=O)CC(=O)O)N=C(O)[C@H](CCCN(O)C(=O)CC(=O)O)N=C(O)CN=C1O
InChI: InChI=1S/C31H47N9O18/c1-16-28(52)32-15-21(42)35-18(6-3-9-39(57)23(44)12-26(48)49)30(54)37-19(7-4-10-40(58)24(45)13-27(50)51)31(55)36-17(29(53)33-14-20(41)34-16)5-2-8-38(56)22(43)11-25(46)47/h16-19,56-58H,2-15H2,1H3,(H,32,52)(H,33,53)(H,34,41)(H,35,42)(H,36,55)(H,37,54)(H,46,47)(H,48,49)(H,50,51)/t16-,17-,18+,19+/m1/s1
InChIKey: RKBVBZLUGHDEEW-YRXWBPOGSA-N
Reference
NPASS: NPC182855
Source
Properties Information
Molecule Weight: 833.7620000000001
TPSA？: 429.06000000000006
MolLogP？: -0.348599999999989
Number of H-Donors: 12
Number of H-Acceptors: 15
RingCount: 1
Activities Information
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