(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[2-[[(2S)-4-azanyl-2-[[(2S)-1-[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S,3S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-oxidanyl-

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[2-[[(2S)-4-azanyl-2-[[(2S)-1-[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S,3S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-oxidanyl- Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]-4-oxo-butanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-4-amino-2-[[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1,5-dioxopentyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-1,4-dioxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-3-hydroxypropano IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-5-keto-pentanoyl]amino]-3-hydroxy-propanoyl]prolyl]amino]-4-keto-butanoyl]amino]acetyl]amino]-4-keto-butanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxy-propionic acid Formula: C67H109N19O21 MolecularWeight: 1516.69706

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(CC(=O)N)C(=O)NCC(=O)NC(CC(=O)N)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CO)C(=O)O)NC(=O)C(C)N

Isomeric SMILES

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

InChI

InChI=1S/C67H109N19O21/c1-10-34(6)53(85-54(93)35(7)69)65(104)77-39(19-14-15-23-68)58(97)79-41(25-32(2)3)62(101)84-52(33(4)5)64(103)78-40(21-22-48(70)89)59(98)82-45(30-87)66(105)86-24-16-20-47(86)63(102)81-43(27-49(71)90)57(96)73-29-51(92)76-44(28-50(72)91)61(100)80-42(26-38-17-12-11-13-18-38)60(99)75-36(8)55(94)74-37(9)56(95)83-46(31-88)67(106)107/h11-13,17-18,32-37,39-47,52-53,87-88H,10,14-16,19-31,68-69H2,1-9H3,(H2,70,89)(H2,71,90)(H2,72,91)(H,73,96)(H,74,94)(H,75,99)(H,76,92)(H,77,104)(H,78,103)(H,79,97)(H,80,100)(H,81,102)(H,82,98)(H,83,95)(H,84,101)(H,85,93)(H,106,107)/t34-,35-,36-,37-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-,53-/m0/s1