(2s)-5-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-5-amino-2-[[(2s)-2-[[(2s,3s)-2-[[2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid

Structural Information

Molecular Formula

C₇₆H₁₃₀N₂₆O₁₈

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C76H130N26O18/c1-12-41(10)60(101-58(106)35-90-63(109)54(33-43-34-89-46-19-14-13-18-44(43)46)99-71(117)59(40(8)9)102-70(116)55(36-103)100-62(108)45(77)30-37(2)3)72(118)95-49(22-17-29-88-76(84)85)65(111)94-50(23-25-56(78)104)67(113)98-52(31-38(4)5)68(114)93-47(20-15-27-86-74(80)81)64(110)91-42(11)61(107)92-48(21-16-28-87-75(82)83)66(112)97-53(32-39(6)7)69(115)96-51(73(119)120)24-26-57(79)105/h13-14,18-19,34,37-42,45,47-55,59-60,89,103H,12,15-17,20-33,35-36,77H2,1-11H3,(H2,78,104)(H2,79,105)(H,90,109)(H,91,110)(H,92,107)(H,93,114)(H,94,111)(H,95,118)(H,96,115)(H,97,112)(H,98,113)(H,99,117)(H,100,108)(H,101,106)(H,102,116)(H,119,120)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t41-,42-,45-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-,60-/m0/s1

InChIKey

QXCRAELQCBQRSR-NKQDYPLRSA-N

Compound name

(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71591707