Catalog Number:
AG00F9ZW
Chemical Name:
VIP (6-28) (HUMAN, BOVINE, PORCINE, RAT)
CAS Number:
69698-54-0
Molecular Formula:
C126H207N37O34S
Molecular Weight:
2816.2843
MDL Number:
MFCD00237319
IUPAC Name:
(3S)-4-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-[[(2S,3R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C126H207N37O34S/c1-15-66(10)99(122(195)157-86(53-64(6)7)113(186)150-83(102(135)175)57-94(132)170)161-120(193)92(61-164)159-117(190)90(59-96(134)172)155-114(187)85(52-63(4)5)152-115(188)87(55-71-34-38-73(167)39-35-71)153-109(182)77(30-20-23-46-128)144-107(180)78(31-21-24-47-129)148-121(194)98(65(8)9)160-103(176)67(11)142-105(178)82(44-50-198-14)147-111(184)81(42-43-93(131)169)146-106(179)76(29-19-22-45-127)143-108(181)79(32-25-48-140-125(136)137)145-112(185)84(51-62(2)3)151-110(183)80(33-26-49-141-126(138)139)149-123(196)101(69(13)166)163-119(192)88(56-72-36-40-74(168)41-37-72)154-116(189)89(58-95(133)171)156-118(191)91(60-97(173)174)158-124(197)100(68(12)165)162-104(177)75(130)54-70-27-17-16-18-28-70/h16-18,27-28,34-41,62-69,75-92,98-101,164-168H,15,19-26,29-33,42-61,127-130H2,1-14H3,(H2,131,169)(H2,132,170)(H2,133,171)(H2,134,172)(H2,135,175)(H,142,178)(H,143,181)(H,144,180)(H,145,185)(H,146,179)(H,147,184)(H,148,194)(H,149,196)(H,150,186)(H,151,183)(H,152,188)(H,153,182)(H,154,189)(H,155,187)(H,156,191)(H,157,195)(H,158,197)(H,159,190)(H,160,176)(H,161,193)(H,162,177)(H,163,192)(H,173,174)(H4,136,137,140)(H4,138,139,141)/t66-,67-,68+,69+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,98-,99-,100-,101-/m0/s1
InChI Key:
BVEZAVADHLXCKB-KDQGBBDSSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CC(C)C)[C@H](CC)C)CO)CC(=O)N)CC(C)C)Cc1ccc(cc1)O)CCCCN)CCCCN)C(C)C)C)CCSC)CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1ccccc1)N)CC(=O)O)CC(=O)N)Cc1ccc(cc1)O)CCCNC(=N)N)CC(C)C)CCCNC(=N)N
