H-arg-lys-phe-his-glu-lys-his-his-ser-his-arg-gly-tyr-arg-ser-asn-tyr-leu-tyr-asp-asn-oh

Structural Information

Molecular Formula

C₁₂₁H₁₇₄N₄₂O₃₃

SMILES

CC(C)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](CC(=O)N)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C121H174N42O33/c1-62(2)39-80(105(182)153-84(43-66-24-30-73(168)31-25-66)109(186)160-90(50-98(174)175)115(192)161-91(118(195)196)49-95(126)170)151-107(184)83(42-65-22-28-72(167)29-23-65)154-114(191)89(48-94(125)169)159-117(194)92(56-164)162-103(180)78(19-12-38-139-121(131)132)149-106(183)81(41-64-20-26-71(166)27-21-64)145-96(171)55-140-100(177)75(18-11-37-138-120(129)130)147-110(187)86(45-68-52-134-59-142-68)158-116(193)93(57-165)163-113(190)88(47-70-54-136-61-144-70)157-112(189)87(46-69-53-135-60-143-69)155-102(179)77(17-7-9-35-123)148-104(181)79(32-33-97(172)173)150-111(188)85(44-67-51-133-58-141-67)156-108(185)82(40-63-13-4-3-5-14-63)152-101(178)76(16-6-8-34-122)146-99(176)74(124)15-10-36-137-119(127)128/h3-5,13-14,20-31,51-54,58-62,74-93,164-168H,6-12,15-19,32-50,55-57,122-124H2,1-2H3,(H2,125,169)(H2,126,170)(H,133,141)(H,134,142)(H,135,143)(H,136,144)(H,140,177)(H,145,171)(H,146,176)(H,147,187)(H,148,181)(H,149,183)(H,150,188)(H,151,184)(H,152,178)(H,153,182)(H,154,191)(H,155,179)(H,156,185)(H,157,189)(H,158,193)(H,159,194)(H,160,186)(H,161,192)(H,162,180)(H,163,190)(H,172,173)(H,174,175)(H,195,196)(H4,127,128,137)(H4,129,130,138)(H4,131,132,139)/t74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-/m0/s1

InChIKey

QKTLJJFBWFHHRV-CEUAVHSDSA-N

Compound name

(4S)-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130884