Clgnqgsfltkgpsklndc

Structural Information

Molecular Formula

C₈₂H₁₃₅N₂₄O₂₇S₂

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)[N+](=O)CCS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)N)O

InChI

InChI=1S/C82H134N24O27S2/c1-41(2)28-50(97-68(118)46(85)40-135)71(121)90-35-63(113)92-54(32-61(87)111)75(125)95-49(21-22-60(86)110)70(120)89-36-64(114)93-57(38-107)78(128)100-53(31-45-16-9-8-10-17-45)74(124)99-52(30-43(5)6)77(127)104-67(44(7)109)81(131)96-47(18-11-13-23-83)69(119)91-37-65(115)105-25-15-20-59(105)80(130)103-58(39-108)79(129)94-48(19-12-14-24-84)72(122)98-51(29-42(3)4)73(123)101-55(33-62(88)112)76(126)102-56(34-66(116)117)82(132)106(133)26-27-134/h8-10,16-17,41-44,46-59,67,107-109H,11-15,18-40,83-85H2,1-7H3,(H24-,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,110,111,112,113,114,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,134,135)/p+1/t44-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,67+/m1/s1

InChIKey

RISIBYUZWWAETJ-NIBUQYNNSA-O

Compound name

[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]-oxo-(2-sulfanylethyl)azanium

Related CIDs

• CID 16197303