Nrc-06

Structural Information

Molecular Formula

C₁₂₈H₁₈₈N₄₂O₂₈

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC(C)C)C(=O)C)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC8=CNC9=CC=CC=C98)NC(=O)CN

InChI

InChI=1S/C128H188N42O28/c1-14-68(7)106(125(196)144-59-103(177)156-94(45-79-53-136-62-146-79)117(188)152-70(9)109(180)151-73(12)111(182)168-105(67(5)6)126(197)167-98(49-100(132)174)122(193)165-96(47-81-55-138-64-148-81)121(192)161-90(42-76-33-35-83(173)36-34-76)120(191)160-89(74(13)172)40-66(3)4)169-123(194)97(48-82-56-139-65-149-82)164-115(186)87(30-21-23-37-129)158-110(181)72(11)150-108(179)71(10)153-118(189)95(46-80-54-137-63-147-80)163-114(185)86(32-25-39-140-128(133)134)154-102(176)57-143-113(184)93(44-78-52-135-61-145-78)162-116(187)88(31-22-24-38-130)159-119(190)91(41-75-26-17-16-18-27-75)166-127(198)107(69(8)15-2)170-124(195)99(60-171)157-104(178)58-142-112(183)92(155-101(175)50-131)43-77-51-141-85-29-20-19-28-84(77)85/h16-20,26-29,33-36,51-56,61-73,86-99,105-107,141,171,173H,14-15,21-25,30-32,37-50,57-60,129-131H2,1-13H3,(H2,132,174)(H,135,145)(H,136,146)(H,137,147)(H,138,148)(H,139,149)(H,142,183)(H,143,184)(H,144,196)(H,150,179)(H,151,180)(H,152,188)(H,153,189)(H,154,176)(H,155,175)(H,156,177)(H,157,178)(H,158,181)(H,159,190)(H,160,191)(H,161,192)(H,162,187)(H,163,185)(H,164,186)(H,165,193)(H,166,198)(H,167,197)(H,168,182)(H,169,194)(H,170,195)(H4,133,134,140)/t68-,69-,70-,71-,72-,73-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,105-,106-,107-/m0/s1

InChIKey

QDCWHNQZRNSILN-YHGQUNQHSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-N-[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]butanediamide

Related CIDs

• CID 16131770