Bdbm50158814

Structural Information

Molecular Formula

C₉₇H₁₇₄N₂₆O₂₇S₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)CCCCCNC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C97H174N26O27S3/c1-19-54(17)77(94(147)121-72(49(7)8)89(142)112-60(39-47(3)4)84(137)113-62(43-124)80(133)105-41-67(126)107-57(29-23-25-35-98)82(135)110-59(96(149)150)30-24-26-36-99)122-83(136)58(31-28-38-104-97(101)102)108-68(127)42-106-88(141)71(48(5)6)118-95(148)78(55(18)20-2)123-93(146)76(53(15)16)120-92(145)75(52(13)14)117-87(140)64(45-152)109-66(125)32-22-21-27-37-103-81(134)63(44-151)114-86(139)65(46-153)115-90(143)73(50(9)10)119-91(144)74(51(11)12)116-85(138)61(40-70(130)131)111-79(132)56(100)33-34-69(128)129/h47-65,71-78,124,151-153H,19-46,98-100H2,1-18H3,(H,103,134)(H,105,133)(H,106,141)(H,107,126)(H,108,127)(H,109,125)(H,110,135)(H,111,132)(H,112,142)(H,113,137)(H,114,139)(H,115,143)(H,116,138)(H,117,140)(H,118,148)(H,119,144)(H,120,145)(H,121,147)(H,122,136)(H,123,146)(H,128,129)(H,130,131)(H,149,150)(H4,101,102,104)/t54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,71-,72-,73-,74-,75-,76-,77-,78-/m0/s1

InChIKey

KIXWBFHZLFKOSG-GVUBVZJUSA-N

Compound name

(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[6-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoylamino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoic acid

Related CIDs

• CID 16130889