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methyl (2S,5S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-azanyl-2-methyl-propanoyl)amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-azanyl-2-methyl-propanoyl)amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-2,7-dimethyl-5-[[(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]amino]-4-oxidanylidene-octanoate

Systemtic Name:	methyl (2S,5S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-azanyl-2-methyl-propanoyl)amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-azanyl-2-methyl-propanoyl)amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-2,7-dimethyl-5-[[(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]amino]-4-oxidanylidene-octanoate
Openeye Name:	methyl (2S,5S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-2-methyl-propanoyl)amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-2-methyl-propanoyl)amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]propanoyl]amino]-2,7-dimethyl-4-oxo-octanoate
CAS Name:	(2S,5S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-2-methyl-1-oxopropyl)amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-2-methyl-1-oxopropyl)amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-2,7-dimethyl-5-[[(2S)-2-[[(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-1-oxopropyl]amino]-4-oxooc
IUPAC Name:	methyl (2S,5S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-2-methylpropanoyl)amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-2-methylpropanoyl)amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-2,7-dimethyl-5-[[(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]amino]-4-oxooctanoate
Traditional Name:	(2S,5S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-2-methyl-propanoyl)amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-2-methyl-propanoyl)amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]propanoyl]amino]-4-keto-2,7-dimethyl-caprylic acid methyl ester
Formula:	C₇₄H₁₃₃N₁₅O₁₈
MolecularWeight:	1520.93752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)CC(C)(C(=O)OC)N(C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C)(C)N)C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C)(C)N)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N(C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)C(C)(C)N)[C@@](C)(CC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)C(C)(C)N

InChI

InChI=1S/C74H133N15O18/c1-35(2)30-47(81-56(91)43(17)80-64(99)55(42(15)16)88-70(105)107-71(21,22)23)51(90)34-74(28,69(104)106-29)89(66(101)50(33-38(7)8)84-59(94)46(20)79-63(98)54(41(13)14)87-68(103)73(26,27)76)65(100)49(32-37(5)6)83-58(93)45(19)77-61(96)52(39(9)10)85-60(95)48(31-36(3)4)82-57(92)44(18)78-62(97)53(40(11)12)86-67(102)72(24,25)75/h35-50,52-55H,30-34,75-76H2,1-29H3,(H,77,96)(H,78,97)(H,79,98)(H,80,99)(H,81,91)(H,82,92)(H,83,93)(H,84,94)(H,85,95)(H,86,102)(H,87,103)(H,88,105)/t43-,44-,45-,46-,47-,48-,49-,50-,52-,53-,54-,55-,74-/m0/s1

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