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[4-[(2S)-3-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-4-azanyl-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-3-oxidanylidene-propyl]phenyl] 4-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidan

Systemtic Name:	[4-[(2S)-3-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-4-azanyl-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-3-oxidanylidene-propyl]phenyl] 4-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidan
Openeye Name:	[4-[(2S)-3-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-3-amino-1-[[(1R)-2-[(2S)-2-[[(1S)-1-[(2-amino-2-oxo-ethyl)carbamoyl]-4-guanidino-butyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-4-oxo-butyl]amino]-1-benzyl-2-oxo-ethyl]amino]-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-3-oxo-propyl]phenyl] 4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxybutanoate
CAS Name:	4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]butanoic acid [4-[(2S)-3-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2R)-1-[(2S)-2-[[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-mercapto-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-3-oxopropyl]phenyl] ester
IUPAC Name:	[4-[(2S)-3-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-oxopropyl]phenyl] 4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate
Traditional Name:	4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxybutyric acid [4-[(2S)-3-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-3-amino-1-[[(1R)-2-[(2S)-2-[[(1S)-1-[(2-amino-2-keto-ethyl)carbamoyl]-4-guanidino-butyl]carbamoyl]pyrrolidino]-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-3-keto-propyl]carbamoyl]-4-keto-butyl]amino]-1-benzyl-2-keto-ethyl]amino]-2-[[(2R)-2-amino-3-mercapto-propanoyl]amino]-3-keto-propyl]phenyl] ester
Formula:	C₅₆H₈₃N₁₅O₁₉S₂
MolecularWeight:	1334.47732

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CS)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)OC(=O)CCCOC4C(C(C(C(O4)CO)O)O)O)NC(=O)C(CS)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CS)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)OC(=O)CCCO[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)[C@H](CS)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N

InChI

InChI=1S/C56H83N15O19S2/c57-31(26-91)47(80)67-34(22-29-12-14-30(15-13-29)89-43(76)11-6-20-88-55-46(79)45(78)44(77)39(25-72)90-55)51(84)68-35(21-28-7-2-1-3-8-28)50(83)65-33(16-17-40(58)73)49(82)69-36(23-41(59)74)52(85)70-37(27-92)54(87)71-19-5-10-38(71)53(86)66-32(9-4-18-63-56(61)62)48(81)64-24-42(60)75/h1-3,7-8,12-15,31-39,44-46,55,72,77-79,91-92H,4-6,9-11,16-27,57H2,(H2,58,73)(H2,59,74)(H2,60,75)(H,64,81)(H,65,83)(H,66,86)(H,67,80)(H,68,84)(H,69,82)(H,70,85)(H4,61,62,63)/t31-,32-,33-,34-,35-,36-,37-,38-,39+,44-,45-,46+,55+/m0/s1

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