Cwvrlgrellrrlkepft

Structural Information

Molecular Formula

C₁₀₃H₁₇₀N₃₂O₂₄S

SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CS)N)O

InChI

InChI=1S/C103H170N32O24S/c1-53(2)44-71(128-89(148)68(32-22-42-117-103(112)113)125-97(156)81(57(9)10)133-95(154)76(127-83(142)62(105)52-160)49-60-50-118-63-27-16-15-26-61(60)63)84(143)119-51-78(137)120-64(29-19-39-114-100(106)107)85(144)124-69(34-36-79(138)139)90(149)130-74(47-56(7)8)93(152)131-73(46-55(5)6)92(151)123-66(30-20-40-115-101(108)109)86(145)121-67(31-21-41-116-102(110)111)88(147)129-72(45-54(3)4)91(150)122-65(28-17-18-38-104)87(146)126-70(35-37-80(140)141)98(157)135-43-23-33-77(135)96(155)132-75(48-59-24-13-12-14-25-59)94(153)134-82(58(11)136)99(158)159/h12-16,24-27,50,53-58,62,64-77,81-82,118,136,160H,17-23,28-49,51-52,104-105H2,1-11H3,(H,119,143)(H,120,137)(H,121,145)(H,122,150)(H,123,151)(H,124,144)(H,125,156)(H,126,146)(H,127,142)(H,128,148)(H,129,147)(H,130,149)(H,131,152)(H,132,155)(H,133,154)(H,134,153)(H,138,139)(H,140,141)(H,158,159)(H4,106,107,114)(H4,108,109,115)(H4,110,111,116)(H4,112,113,117)/t58-,62+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,81+,82+/m1/s1

InChIKey

SFTHYADTFFDFEL-HSHVDWCYSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-[(2S)-2-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71596889