Nrc-04

Structural Information

Molecular Formula

C₁₂₉H₁₉₃N₃₇O₂₈

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)CN)O

InChI

InChI=1S/C129H193N37O28/c1-69(2)48-92(109(135)174)156-120(185)96(52-80-40-42-85(169)43-41-80)160-122(187)98(54-82-59-136-66-143-82)163-129(194)108(77(13)168)166-123(188)93(49-70(3)4)157-112(177)75(11)146-110(175)73(9)148-115(180)88(36-22-26-44-130)150-103(171)63-141-128(193)107(72(7)8)165-125(190)100(56-84-61-138-68-145-84)162-117(182)89(37-23-27-45-131)151-104(172)64-142-127(192)106(71(5)6)164-124(189)99(55-83-60-137-67-144-83)158-113(178)76(12)147-111(176)74(10)149-116(181)90(38-24-28-46-132)154-118(183)91(39-25-29-47-133)155-119(184)94(50-78-30-16-14-17-31-78)159-121(186)95(51-79-32-18-15-19-33-79)161-126(191)101(65-167)153-105(173)62-140-114(179)97(152-102(170)57-134)53-81-58-139-87-35-21-20-34-86(81)87/h14-21,30-35,40-43,58-61,66-77,88-101,106-108,139,167-169H,22-29,36-39,44-57,62-65,130-134H2,1-13H3,(H2,135,174)(H,136,143)(H,137,144)(H,138,145)(H,140,179)(H,141,193)(H,142,192)(H,146,175)(H,147,176)(H,148,180)(H,149,181)(H,150,171)(H,151,172)(H,152,170)(H,153,173)(H,154,183)(H,155,184)(H,156,185)(H,157,177)(H,158,178)(H,159,186)(H,160,187)(H,161,191)(H,162,182)(H,163,194)(H,164,189)(H,165,190)(H,166,188)/t73-,74-,75-,76-,77+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,106-,107-,108-/m0/s1

InChIKey

JGTIOZUAHKZYRW-UVKRQXBBSA-N

Compound name

(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]hexanamide

Related CIDs

• CID 16131768