InChI=1S/C61H99N19O15/c1-8-31(5)47(78-51(87)38(62)27-34-14-18-36(82)19-15-34)57(93)77-44(29-46(64)85)55(91)76-43(26-30(3)4)56(92)79-48(32(6)9-2)58(94)80-49(33(7)81)59(95)74-40(13-11-25-71-61(68)69)52(88)73-41(22-23-45(63)84)54(90)72-39(12-10-24-70-60(66)67)53(89)75-42(50(65)86)28-35-16-20-37(83)21-17-35/h14-21,30-33,38-44,47-49,81-83H,8-13,22-29,62H2,1-7H3,(H2,63,84)(H2,64,85)(H2,65,86)(H,72,90)(H,73,88)(H,74,95)(H,75,89)(H,76,91)(H,77,93)(H,78,87)(H,79,92)(H,80,94)(H4,66,67,70)(H4,68,69,71)/t31-,32-,33-,38+,39-,40-,41-,42+,43-,44-,47-,48-,49+/m0/s1

【InChIKey】

InChIKey=ZSPXOUGXONWRQC-FHDPKJCZSA-N

【SMILES】

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(cc1)O)C(=O)N)NC(=O)[C@@H](Cc2ccc(cc2)O)N

【MOL File】

H-D-TYR-ILE-ASN-LEU-….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:22

H bond acceptor:34

XLogP3:-13.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

【WGK Germany】

4CML File

H-D-TYR-ILE-ASN-LEU-ILE-D-THR-ARG-GLN-ARG-D-TYR-NH2.cml

Quick Release

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163887-48-7 H-D-TYR-ILE-ASN-LEU-ILE-D-THR-ARG-GLN-ARG-D-TYR-NH2

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】