115416-08-5

Structural Information

Molecular Formula

C₁₁₄H₁₉₉N₄₁O₃₁

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C114H199N41O31/c1-14-57(7)85(105(181)136-54-83(165)166)149-98(174)67(32-21-23-41-115)138-81(163)52-134-104(180)86(58(8)15-2)152-110(186)90(63(13)158)154-106(182)84(56(5)6)148-100(176)73(48-64-30-19-18-20-31-64)145-91(167)61(11)137-94(170)68(35-26-44-130-112(123)124)139-80(162)51-133-103(179)76-38-29-47-155(76)82(164)53-135-93(169)66(34-25-43-129-111(121)122)140-97(173)72(39-40-77(118)159)144-108(184)87(59(9)16-3)150-99(175)71(37-28-46-132-114(127)128)142-107(183)88(60(10)17-4)151-102(178)75(55-156)147-96(172)69(33-22-24-42-116)141-95(171)70(36-27-45-131-113(125)126)143-109(185)89(62(12)157)153-101(177)74(50-79(120)161)146-92(168)65(117)49-78(119)160/h18-20,30-31,56-63,65-76,84-90,156-158H,14-17,21-29,32-55,115-117H2,1-13H3,(H2,118,159)(H2,119,160)(H2,120,161)(H,133,179)(H,134,180)(H,135,169)(H,136,181)(H,137,170)(H,138,163)(H,139,162)(H,140,173)(H,141,171)(H,142,183)(H,143,185)(H,144,184)(H,145,167)(H,146,168)(H,147,172)(H,148,176)(H,149,174)(H,150,175)(H,151,178)(H,152,186)(H,153,177)(H,154,182)(H,165,166)(H4,121,122,129)(H4,123,124,130)(H4,125,126,131)(H4,127,128,132)/t57-,58-,59-,60-,61-,62+,63+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,84-,85-,86-,87-,88-,89-,90-/m0/s1

InChIKey

HXEZUJKCGLFCJM-AULMXMCFSA-N

Compound name

2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]acetic acid

Related CIDs

• CID 16130146