H-ALA-THR-GLN-ARG-LEU-ALA-ASN-PHE-LEU-VAL-ARG-SER-SER-ASN-PHE-GLY-ALA-ILE-LEU-SER-SER-THR-ASN-VAL-GLY-SER-ASN-THR-TYR-OH

CAS No.
CCD No.
CCD00948714
Formula
C134 H214 N40 O44
MolWeight
3089.4

Basic Information

Product Name: H-ALA-THR-GLN-ARG-LEU-ALA-ASN-PHE-LEU-VAL-ARG-SER-SER-ASN-PHE-GLY-ALA-ILE-LEU-SER-SER-THR-ASN-VAL-GLY-SER-ASN-THR-TYR-OH
English Synonyms: H-ALA-THR-GLN-ARG-LEU-ALA-ASN-PHE-LEU-VAL-ARG-SER-SER-ASN-PHE-GLY-ALA-ILE-LEU-SER-SER-THR-ASN-VAL-GLY-SER-ASN-THR-TYR-OH
MDL Number.: MFCD10566500
H bond acceptor: 84
H bond donor: 50
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)N
InChi: InChI=1S/C134H214N40O44/c1-19-64(12)102(128(213)162-79(43-60(4)5)114(199)166-91(57-178)124(209)168-92(58-179)125(210)174-104(69(17)181)130(215)163-86(51-97(140)188)119(204)169-100(62(8)9)126(211)148-53-99(190)151-88(54-175)121(206)161-85(50-96(139)187)120(205)173-105(70(18)182)131(216)164-87(132(217)218)47-73-34-36-74(183)37-35-73)171-108(193)66(14)149-98(189)52-147-109(194)81(45-71-28-22-20-23-29-71)158-117(202)84(49-95(138)186)160-122(207)89(55-176)167-123(208)90(56-177)165-111(196)76(33-27-41-146-134(143)144)153-127(212)101(63(10)11)170-118(203)80(44-61(6)7)157-115(200)82(46-72-30-24-21-25-31-72)159-116(201)83(48-94(137)185)155-107(192)67(15)150-113(198)78(42-59(2)3)156-110(195)75(32-26-40-145-133(141)142)152-112(197)77(38-39-93(136)184)154-129(214)103(68(16)180)172-106(191)65(13)135/h20-25,28-31,34-37,59-70,75-92,100-105,175-183H,19,26-27,32-33,38-58,135H2,1-18H3,(H2,136,184)(H2,137,185)(H2,138,186)(H2,139,187)(H2,140,188)(H,147,194)(H,148,211)(H,149,189)(H,150,198)(H,151,190)(H,152,197)(H,153,212)(H,154,214)(H,155,192)(H,156,195)(H,157,200)(H,158,202)(H,159,201)(H,160,207)(H,161,206)(H,162,213)(H,163,215)(H,164,216)(H,165,196)(H,166,199)(H,167,208)(H,168,209)(H,169,204)(H,170,203)(H,171,193)(H,172,191)(H,173,205)(H,174,210)(H,217,218)(H4,141,142,145)(H4,143,144,146)/t64-,65-,66-,67-,68+,69+,70+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,100-,101-,102-,103-,104-,105-/m0/s1
InChiKey: InChIKey=GVGUNSOFOMOQHL-IMBDYSRKSA-N

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