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None

AlkaPlorer ID: AK538682

Synonym: None

IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide

Structure

SMILES: C[C@@H](O)[C@H](N=C(O)[C@H](CC1=CNC2=CC=CC=C12)N=C(O)CN=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CO)N=C(O)[C@H](CC1=CC=C(O)C=C1)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)[C@@H](N=C(O)[C@@H]1CCC(O)=N1)[C@@H](C)O)C(O)=N[C@@H](CC(=N)O)C(=N)O

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InChI: InChI=1S/C62H84N18O18/c1-30(82)50(60(97)75-41(52(65)89)26-47(64)86)80-58(95)44(25-34-27-69-37-12-7-6-11-36(34)37)72-49(88)28-70-53(90)38(13-8-22-68-62(66)67)73-59(96)45(29-81)78-57(94)42(24-33-14-16-35(84)17-15-33)76-54(91)40(18-20-46(63)85)74-56(93)43(23-32-9-4-3-5-10-32)77-61(98)51(31(2)83)79-55(92)39-19-21-48(87)71-39/h3-7,9-12,14-17,27,30-31,38-45,50-51,69,81-84H,8,13,18-26,28-29H2,1-2H3,(H2,63,85)(H2,64,86)(H2,65,89)(H,70,90)(H,71,87)(H,72,88)(H,73,96)(H,74,93)(H,75,97)(H,76,91)(H,77,98)(H,78,94)(H,79,92)(H,80,95)(H4,66,67,68)/t30-,31-,38+,39+,40+,41+,42+,43+,44+,45+,50+,51+/m1/s1

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InChIKey: UOABGUNWRLWTJU-YPKDOBRCSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Periplaneta americana Periplaneta Blattidae Blattodea Insecta Arthropoda Metazoa Eukaryota

Properties Information

Molecule Weight: 1369.4620000000004

TPSA？: 649.3400000000004

MolLogP？: 4.695980000000016

Number of H-Donors: 25

Number of H-Acceptors: 19

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information