Nh2-met-asp-tyr-gln-val-ser-ser-pro-ile-tyr-asp-ile-asn-tyr-tyr-thr-ser-glu-pro-cys-gln-lys-ile-asn-val-lys-cooh

Structural Information

Molecular Formula

C₁₃₈H₂₀₈N₃₂O₄₅S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C138H208N32O45S2/c1-13-68(8)109(132(208)158-91(59-103(145)182)123(199)164-107(66(4)5)130(206)150-85(138(214)215)23-17-19-50-140)165-115(191)81(22-16-18-49-139)146-114(190)82(42-45-100(142)179)148-127(203)97(65-216)162-128(204)98-24-20-51-169(98)136(212)84(44-47-104(183)184)149-125(201)94(62-171)160-135(211)112(71(11)174)168-122(198)89(57-75-32-40-79(178)41-33-75)154-118(194)87(55-73-28-36-77(176)37-29-73)152-120(196)90(58-102(144)181)157-133(209)110(69(9)14-2)166-124(200)93(61-106(187)188)155-119(195)88(56-74-30-38-78(177)39-31-74)156-134(210)111(70(10)15-3)167-129(205)99-25-21-52-170(99)137(213)96(64-173)161-126(202)95(63-172)159-131(207)108(67(6)7)163-116(192)83(43-46-101(143)180)147-117(193)86(54-72-26-34-76(175)35-27-72)153-121(197)92(60-105(185)186)151-113(189)80(141)48-53-217-12/h26-41,66-71,80-99,107-112,171-178,216H,13-25,42-65,139-141H2,1-12H3,(H2,142,179)(H2,143,180)(H2,144,181)(H2,145,182)(H,146,190)(H,147,193)(H,148,203)(H,149,201)(H,150,206)(H,151,189)(H,152,196)(H,153,197)(H,154,194)(H,155,195)(H,156,210)(H,157,209)(H,158,208)(H,159,207)(H,160,211)(H,161,202)(H,162,204)(H,163,192)(H,164,199)(H,165,191)(H,166,200)(H,167,205)(H,168,198)(H,183,184)(H,185,186)(H,187,188)(H,214,215)/t68-,69-,70-,71+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,107-,108-,109-,110-,111-,112-/m0/s1

InChIKey

QHLNXUCJJHPEQZ-HUIPTKANSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]hexanoic acid

Related CIDs

• CID 16131983