None

AlkaPlorer ID: AK319280

Synonym: None

IUPAC Name: None

Structure

SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CO)N=C(O)[C@@H](N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)CN)C(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CC1=CN=CN1)C(O)=NCC(O)=N[C@@H](CC1=CC=CC=C1)C(=N)O

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InChI: InChI=1S/C69H105N23O19/c1-6-36(4)56(68(111)81-37(5)58(101)86-45(26-40-31-77-34-80-40)59(102)79-32-53(97)82-43(57(74)100)24-38-16-9-7-10-17-38)92-61(104)42(21-15-23-78-69(75)76)85-63(106)46(27-50(72)94)88-66(109)49(33-93)90-67(110)55(35(2)3)91-65(108)47(28-51(73)95)87-64(107)48(29-54(98)99)89-60(103)41(20-13-14-22-70)84-62(105)44(83-52(96)30-71)25-39-18-11-8-12-19-39/h7-12,16-19,31,34-37,41-49,55-56,93H,6,13-15,20-30,32-33,70-71H2,1-5H3,(H2,72,94)(H2,73,95)(H2,74,100)(H,77,80)(H,79,102)(H,81,111)(H,82,97)(H,83,96)(H,84,105)(H,85,106)(H,86,101)(H,87,107)(H,88,109)(H,89,103)(H,90,110)(H,91,108)(H,92,104)(H,98,99)(H4,75,76,78)/t36-,37-,41-,42-,43-,44-,45-,46-,47-,48-,49-,55-,56-/m0/s1

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InChIKey: JPQHVZBQABOBNX-VXWBOCOASA-N

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Reference

NPASS: NPC230173

Properties Information

Molecule Weight: 1560.741

TPSA: 756.0600000000003

MolLogP: 5.221279999999986

Number of H-Donors: 27

Number of H-Acceptors: 22

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information