Argifin

AlkaPlorer ID: AK005996

Synonym: None

IUPAC Name: (2S,5R,8R,11R,15S)-5-[3-[[amino-(methylcarbamoylamino)methylidene]amino]propyl]-8-benzyl-2,7-dimethyl-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentazacycloheptadecane-11,15-dicarboxylic acid

Structure

SMILES: CN=C(O)NC(=N)NCCC[C@H]1N=C(O)[C@H](C)N=C(O)C[C@@H](C(=O)O)N=C(O)C[C@H](C(=O)O)N=C(O)[C@@H](CC2=CC=CC=C2)N(C)C1=O

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InChI: InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18-,19+,20+/m0/s1

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InChIKey: UHBHXSDKGLPPGO-ABHMUUKNSA-N

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Properties Information

Molecule Weight: 675.7000000000002

TPSA: 305.77

MolLogP: 0.7773700000000088

Number of H-Donors: 10

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information